(2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide

C18H23ClN4O — CID 95716356

IUPAC(2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CCCC[C@H]1CCn1ccnc1
InChIInChI=1S/C18H23ClN4O/c1-14-5-4-7-16(19)17(14)21-18(24)23-10-3-2-6-15(23)8-11-22-12-9-20-13-22/h4-5,7,9,12-13,15H,2-3,6,8,10-11H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyROUYCCWZLPFMQB-HNNXBMFYSA-N
MW346.86 g/mol
LogP4.32
Rot. Bonds4

About (2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide

(2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 95716356) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is (2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID95716356
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name(2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CCCC[C@H]1CCn1ccnc1
InChIInChI=1S/C18H23ClN4O/c1-14-5-4-7-16(19)17(14)21-18(24)23-10-3-2-6-15(23)8-11-22-12-9-20-13-22/h4-5,7,9,12-13,15H,2-3,6,8,10-11H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyROUYCCWZLPFMQB-HNNXBMFYSA-N
XLogP4.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 56902565
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 125441252
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95722375
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 99990711
1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 96571230
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70714193
3-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 56744202
(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 95204610
(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 96573519
(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126435717
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide (CID 95716356) is (2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide is Cc1cccc(Cl)c1NC(=O)N1CCCC[C@H]1CCn1ccnc1.
What is the InChIKey of (2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is ROUYCCWZLPFMQB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-14-5-4-7-16(19)17(14)21-18(24)23-10-3-2-6-15(23)8-11-22-12-9-20-13-22/h4-5,7,9,12-13,15H,2-3,6,8,10-11H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
(2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95716356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).