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1255098-48-6 | 1H-Indole-2-carboxylic acid, 6-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]oxy]-2,3-dihydro-, methyl ester
CAS No: 1255098-48-6 Catalog No: AG000NQS MDL No:
Product Description
Catalog Number:
AG000NQS
Chemical Name:
1H-Indole-2-carboxylic acid, 6-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]oxy]-2,3-dihydro-, methyl ester
CAS Number:
1255098-48-6
Molecular Formula:
C20H28N2O5
Molecular Weight:
376.4467
IUPAC Name:
methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2,3-dihydro-1H-indole-2-carboxylate
InChI:
InChI=1S/C20H28N2O5/c1-20(2,3)27-19(24)22-9-7-14(8-10-22)26-15-6-5-13-11-17(18(23)25-4)21-16(13)12-15/h5-6,12,14,17,21H,7-11H2,1-4H3
InChI Key:
UBUUNNDBFFEDOE-UHFFFAOYSA-N
SMILES:
COC(=O)C1Cc2c(N1)cc(cc2)OC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.2g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.453g/mol
Monoisotopic Mass:
376.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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