(3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide

C17H19ClN4O2 — CID 95768953

IUPAC(3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN4O2/c18-14-5-3-12(4-6-14)17(24)22-9-1-2-13(11-22)16(23)21-10-15-19-7-8-20-15/h3-8,13H,1-2,9-11H2,(H,19,20)(H,21,23)/t13-/m0/s1
InChIKeyJKDNWJGYEHWHLE-ZDUSSCGKSA-N
MW346.82 g/mol
LogP2.23
Rot. Bonds4

About (3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 95768953) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID95768953
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN4O2/c18-14-5-3-12(4-6-14)17(24)22-9-1-2-13(11-22)16(23)21-10-15-19-7-8-20-15/h3-8,13H,1-2,9-11H2,(H,19,20)(H,21,23)/t13-/m0/s1
InChIKeyJKDNWJGYEHWHLE-ZDUSSCGKSA-N
XLogP2.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 96568857
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 48731280
1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46684487
1-(4-chlorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 55708364
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 4876339
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide (CID 95768953) is (3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ncc[nH]1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JKDNWJGYEHWHLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-14-5-3-12(4-6-14)17(24)22-9-1-2-13(11-22)16(23)21-10-15-19-7-8-20-15/h3-8,13H,1-2,9-11H2,(H,19,20)(H,21,23)/t13-/m0/s1.
What are the key properties of (3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide?
(3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95768953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).