(3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide

C17H21ClN4O2 — CID 97236430

IUPAC(3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C17H21ClN4O2/c1-21-10-8-19-16(21)15(23)12-5-4-9-22(11-12)17(24)20-14-7-3-2-6-13(14)18/h2-3,6-8,10,12,15,23H,4-5,9,11H2,1H3,(H,20,24)/t12-,15-/m0/s1
InChIKeyRECYMKNCRSPKGZ-WFASDCNBSA-N
MW348.83 g/mol
LogP3.05
Rot. Bonds3

About (3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide

(3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 97236430) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is (3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID97236430
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name(3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C17H21ClN4O2/c1-21-10-8-19-16(21)15(23)12-5-4-9-22(11-12)17(24)20-14-7-3-2-6-13(14)18/h2-3,6-8,10,12,15,23H,4-5,9,11H2,1H3,(H,20,24)/t12-,15-/m0/s1
InChIKeyRECYMKNCRSPKGZ-WFASDCNBSA-N
XLogP3.05
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 97443799
(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075763
(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187128
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569
(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 27035334
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261023
N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 97075772
N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 95133334
[1-(1-chloroisoquinolin-3-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384424
[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone
CID 110007880

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide (CID 97236430) is (3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide is Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of (3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is RECYMKNCRSPKGZ-WFASDCNBSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-21-10-8-19-16(21)15(23)12-5-4-9-22(11-12)17(24)20-14-7-3-2-6-13(14)18/h2-3,6-8,10,12,15,23H,4-5,9,11H2,1H3,(H,20,24)/t12-,15-/m0/s1.
What are the key properties of (3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
(3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97236430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).