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857650-83-0 | 1-Piperidinebutanoic acid, 4-[[(1H-indol-3-ylcarbonyl)amino]methyl]-
CAS No: 857650-83-0 Catalog No: AG004Y7N MDL No:
Product Description
Catalog Number:
AG004Y7N
Chemical Name:
1-Piperidinebutanoic acid, 4-[[(1H-indol-3-ylcarbonyl)amino]methyl]-
CAS Number:
857650-83-0
Molecular Formula:
C19H25N3O3
Molecular Weight:
343.4201
IUPAC Name:
4-[4-[(1H-indole-3-carbonylamino)methyl]piperidin-1-yl]butanoic acid
InChI:
InChI=1S/C19H25N3O3/c23-18(24)6-3-9-22-10-7-14(8-11-22)12-21-19(25)16-13-20-17-5-2-1-4-15(16)17/h1-2,4-5,13-14,20H,3,6-12H2,(H,21,25)(H,23,24)
InChI Key:
AUZFOPFELUKHHW-UHFFFAOYSA-N
SMILES:
OC(=O)CCCN1CCC(CC1)CNC(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.19g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.427g/mol
Monoisotopic Mass:
343.19g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological properties of novel hydrophilic 5-HT4 receptor antagonists. | Bioorganic & medicinal chemistry 20101215 |
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