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1087797-68-9 | N-[3-(2-methylpiperidin-1-yl)propyl]-1H-imidazole-1-carboxamide
CAS No: 1087797-68-9 Catalog No: AG019QPS MDL No:MFCD11099680
Product Description
Catalog Number:
AG019QPS
Chemical Name:
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-imidazole-1-carboxamide
CAS Number:
1087797-68-9
Molecular Formula:
C13H22N4O
Molecular Weight:
250.3400
MDL Number:
MFCD11099680
IUPAC Name:
N-[3-(2-methylpiperidin-1-yl)propyl]imidazole-1-carboxamide
InChI:
InChI=1S/C13H22N4O/c1-12-5-2-3-8-16(12)9-4-6-15-13(18)17-10-7-14-11-17/h7,10-12H,2-6,8-9H2,1H3,(H,15,18)
InChI Key:
YPRAATKQOGIEPI-UHFFFAOYSA-N
SMILES:
CC1CCCCN1CCCNC(=O)n1cncc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.179g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.346g/mol
Monoisotopic Mass:
250.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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