N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide

C18H22N4O2 — CID 125166283

IUPACN-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H22N4O2/c1-13-16(21(2)12-19-13)17(23)20-15-9-6-10-22(11-15)18(24)14-7-4-3-5-8-14/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyBJEBKKRQGWIPRD-HNNXBMFYSA-N
MW326.40 g/mol
LogP1.76
Rot. Bonds3

About N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide

N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide (PubChem CID 125166283) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide
PubChem CID125166283
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H22N4O2/c1-13-16(21(2)12-19-13)17(23)20-15-9-6-10-22(11-15)18(24)14-7-4-3-5-8-14/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyBJEBKKRQGWIPRD-HNNXBMFYSA-N
XLogP1.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide
CID 75375952
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
N-(1-benzoylpiperidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 56785318
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
CID 95151252
4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 68593380
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide (CID 125166283) is N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide is Cc1ncn(C)c1C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide?
The InChIKey is BJEBKKRQGWIPRD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-16(21(2)12-19-13)17(23)20-15-9-6-10-22(11-15)18(24)14-7-4-3-5-8-14/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide?
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 125166283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).