1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide

C21H21FN4O3 — CID 131891851

IUPAC1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4O3/c22-16-4-2-15(3-5-16)20(28)26-9-7-14(8-10-26)19(27)23-12-13-1-6-17-18(11-13)25-21(29)24-17/h1-6,11,14H,7-10,12H2,(H,23,27)(H2,24,25,29)
InChIKeyCCMRIQHUZBSQJF-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.16
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 131891851) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID131891851
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4O3/c22-16-4-2-15(3-5-16)20(28)26-9-7-14(8-10-26)19(27)23-12-13-1-6-17-18(11-13)25-21(29)24-17/h1-6,11,14H,7-10,12H2,(H,23,27)(H2,24,25,29)
InChIKeyCCMRIQHUZBSQJF-UHFFFAOYSA-N
XLogP2.16
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46476068
1-(4-bromobenzoyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide
CID 26701574
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 78867709
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 131913033
1-(3,4-difluorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 113004061
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55888074
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 17497247
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide (CID 131891851) is 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is CCMRIQHUZBSQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c22-16-4-2-15(3-5-16)20(28)26-9-7-14(8-10-26)19(27)23-12-13-1-6-17-18(11-13)25-21(29)24-17/h1-6,11,14H,7-10,12H2,(H,23,27)(H2,24,25,29).
What are the key properties of 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 131891851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).