(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide

C14H18N4O2 — CID 129483783

IUPAC(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCC[C@@](O)(C(N)=O)C2)nc2ccccc21
InChIInChI=1S/C14H18N4O2/c1-17-11-6-3-2-5-10(11)16-13(17)18-8-4-7-14(20,9-18)12(15)19/h2-3,5-6,20H,4,7-9H2,1H3,(H2,15,19)/t14-/m0/s1
InChIKeyWKMIXFHLZQOYSM-AWEZNQCLSA-N
MW274.32 g/mol
LogP0.39
Rot. Bonds2

About (3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide

(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide (PubChem CID 129483783) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
PubChem CID129483783
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCC[C@@](O)(C(N)=O)C2)nc2ccccc21
InChIInChI=1S/C14H18N4O2/c1-17-11-6-3-2-5-10(11)16-13(17)18-8-4-7-14(20,9-18)12(15)19/h2-3,5-6,20H,4,7-9H2,1H3,(H2,15,19)/t14-/m0/s1
InChIKeyWKMIXFHLZQOYSM-AWEZNQCLSA-N
XLogP0.39
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole
CID 82993712
(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129483763
3-hydroxy-1-(2-methyl-4-pyridinyl)piperidine-3-carboxamide
CID 128964534
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989
6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 138001217
2-[methyl-[[(2R)-4-(1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]amino]acetamide
CID 125141381
(3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide
CID 129483234
(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 95808037
[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate
CID 175171148

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide (CID 129483783) is (3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide is Cn1c(N2CCC[C@@](O)(C(N)=O)C2)nc2ccccc21.
What is the InChIKey of (3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The InChIKey is WKMIXFHLZQOYSM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-11-6-3-2-5-10(11)16-13(17)18-8-4-7-14(20,9-18)12(15)19/h2-3,5-6,20H,4,7-9H2,1H3,(H2,15,19)/t14-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 129483783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).