N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide

C29H29N5O3 — CID 42480462

IUPACN-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)cc2ncn(CCc3ccccn3)c12
InChIInChI=1S/C29H29N5O3/c1-20(35)32-26-17-23(16-25-27(26)34(19-31-25)15-12-24-11-5-6-13-30-24)29(37)33-14-7-10-22(18-33)28(36)21-8-3-2-4-9-21/h2-6,8-9,11,13,16-17,19,22H,7,10,12,14-15,18H2,1H3,(H,32,35)/t22-/m0/s1
InChIKeyHSQZNDGELAZZDK-QFIPXVFZSA-N
MW495.58 g/mol
LogP4.37
Rot. Bonds7

About N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide

N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide (PubChem CID 42480462) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide
PubChem CID42480462
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)cc2ncn(CCc3ccccn3)c12
InChIInChI=1S/C29H29N5O3/c1-20(35)32-26-17-23(16-25-27(26)34(19-31-25)15-12-24-11-5-6-13-30-24)29(37)33-14-7-10-22(18-33)28(36)21-8-3-2-4-9-21/h2-6,8-9,11,13,16-17,19,22H,7,10,12,14-15,18H2,1H3,(H,32,35)/t22-/m0/s1
InChIKeyHSQZNDGELAZZDK-QFIPXVFZSA-N
XLogP4.37
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide
CID 45243699
7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide
CID 42170866
1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 25288026
1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 42096263
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
[1-(2-pyridin-2-ylethyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 72906775
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 72845735
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
CID 19801797
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide?
The IUPAC name of N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide (CID 42480462) is N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide?
The canonical SMILES for N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide is CC(=O)Nc1cc(C(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)cc2ncn(CCc3ccccn3)c12.
What is the InChIKey of N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide?
The InChIKey is HSQZNDGELAZZDK-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-20(35)32-26-17-23(16-25-27(26)34(19-31-25)15-12-24-11-5-6-13-30-24)29(37)33-14-7-10-22(18-33)28(36)21-8-3-2-4-9-21/h2-6,8-9,11,13,16-17,19,22H,7,10,12,14-15,18H2,1H3,(H,32,35)/t22-/m0/s1.
What are the key properties of N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide?
N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide has a molecular weight of 495.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide is sourced from PubChem (CID 42480462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).