N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide

C21H22N4O3 — CID 46481378

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H22N4O3/c26-19(11-14-5-2-1-3-6-14)25-10-4-7-15(13-25)20(27)22-16-8-9-17-18(12-16)24-21(28)23-17/h1-3,5-6,8-9,12,15H,4,7,10-11,13H2,(H,22,27)(H2,23,24,28)
InChIKeyRGFSWCGGVXYTSH-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.28
Rot. Bonds4

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 46481378) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID46481378
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H22N4O3/c26-19(11-14-5-2-1-3-6-14)25-10-4-7-15(13-25)20(27)22-16-8-9-17-18(12-16)24-21(28)23-17/h1-3,5-6,8-9,12,15H,4,7,10-11,13H2,(H,22,27)(H2,23,24,28)
InChIKeyRGFSWCGGVXYTSH-UHFFFAOYSA-N
XLogP2.28
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605523
1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide
CID 26688012
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605664
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 86843484
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 167986303
(3S)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 96521978

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 46481378) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is RGFSWCGGVXYTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19(11-14-5-2-1-3-6-14)25-10-4-7-15(13-25)20(27)22-16-8-9-17-18(12-16)24-21(28)23-17/h1-3,5-6,8-9,12,15H,4,7,10-11,13H2,(H,22,27)(H2,23,24,28).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 46481378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).