(3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide

C18H23ClN4O — CID 97128366

IUPAC(3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1
InChIInChI=1S/C18H23ClN4O/c1-3-22-11-9-20-17(22)14-7-5-10-23(12-14)18(24)21-16-13(2)6-4-8-15(16)19/h4,6,8-9,11,14H,3,5,7,10,12H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyDBAUVXCWBQTZMD-AWEZNQCLSA-N
MW346.86 g/mol
LogP4.28
Rot. Bonds3

About (3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide

(3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 97128366) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is (3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
PubChem CID97128366
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name(3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1
InChIInChI=1S/C18H23ClN4O/c1-3-22-11-9-20-17(22)14-7-5-10-23(12-14)18(24)21-16-13(2)6-4-8-15(16)19/h4,6,8-9,11,14H,3,5,7,10,12H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyDBAUVXCWBQTZMD-AWEZNQCLSA-N
XLogP4.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97128365
N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 70739555
(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97120414
(3R)-3-(1-ethylimidazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 97121117
(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187128
N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75443272
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70725342
N-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 70765081
(3R)-N-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97143036
(3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97268216
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 74240001

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide (CID 97128366) is (3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide is CCn1ccnc1[C@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1.
What is the InChIKey of (3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is DBAUVXCWBQTZMD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-3-22-11-9-20-17(22)14-7-5-10-23(12-14)18(24)21-16-13(2)6-4-8-15(16)19/h4,6,8-9,11,14H,3,5,7,10,12H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide?
(3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97128366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).