(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

C20H20BrFN4O — CID 92876558

IUPAC(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1
InChIInChI=1S/C20H20BrFN4O/c21-15-6-7-17-18(10-15)25-20(24-17)26-8-2-4-14(12-26)19(27)23-11-13-3-1-5-16(22)9-13/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,23,27)(H,24,25)/t14-/m1/s1
InChIKeyJICGPPUYQNMEAK-CQSZACIVSA-N
MW431.31 g/mol
LogP4.00
Rot. Bonds4

About (3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 92876558) has the molecular formula C20H20BrFN4O and a molecular weight of 431.31 g/mol. Its IUPAC name is (3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID92876558
Molecular FormulaC20H20BrFN4O
Molecular Weight431.31 g/mol
Exact Mass430.08
IUPAC Name(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1
InChIInChI=1S/C20H20BrFN4O/c21-15-6-7-17-18(10-15)25-20(24-17)26-8-2-4-14(12-26)19(27)23-11-13-3-1-5-16(22)9-13/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,23,27)(H,24,25)/t14-/m1/s1
InChIKeyJICGPPUYQNMEAK-CQSZACIVSA-N
XLogP4.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 46359098
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876557
N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070417
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 46359100
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-butylpiperidine-3-carboxamide
CID 92876535
(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92876520
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876604
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522906
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359079
(3S)-1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95068930
N-[(3-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53210372

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 92876558) is (3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1cccc(F)c1)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1.
What is the InChIKey of (3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JICGPPUYQNMEAK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20BrFN4O/c21-15-6-7-17-18(10-15)25-20(24-17)26-8-2-4-14(12-26)19(27)23-11-13-3-1-5-16(22)9-13/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,23,27)(H,24,25)/t14-/m1/s1.
What are the key properties of (3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 431.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92876558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).