(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide

C20H20N4O2 — CID 126448856

IUPAC(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1
InChIInChI=1S/C20H20N4O2/c21-19(25)16-5-2-8-24(11-16)20(26)15-4-1-3-13(9-15)14-6-7-17-18(10-14)23-12-22-17/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H2,21,25)(H,22,23)/t16-/m0/s1
InChIKeyIFCACKAVFAVQKR-INIZCTEOSA-N
MW348.41 g/mol
LogP2.57
Rot. Bonds3

About (3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide

(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 126448856) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide
PubChem CID126448856
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1
InChIInChI=1S/C20H20N4O2/c21-19(25)16-5-2-8-24(11-16)20(26)15-4-1-3-13(9-15)14-6-7-17-18(10-14)23-12-22-17/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H2,21,25)(H,22,23)/t16-/m0/s1
InChIKeyIFCACKAVFAVQKR-INIZCTEOSA-N
XLogP2.57
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 126447935
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 95339891
1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide
CID 162628143
(3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
CID 125442231
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
3H-benzimidazol-5-yl-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99873270
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide
CID 126442176
(3S)-1-[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
CID 126432128
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide (CID 126448856) is (3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1.
What is the InChIKey of (3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is IFCACKAVFAVQKR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-19(25)16-5-2-8-24(11-16)20(26)15-4-1-3-13(9-15)14-6-7-17-18(10-14)23-12-22-17/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H2,21,25)(H,22,23)/t16-/m0/s1.
What are the key properties of (3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide?
(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 126448856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).