(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H23Cl2N3O2 — CID 120621169

IUPAC(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-3-18-16(22)13-5-4-12(17)9-14(13)20-15(21)11-6-7-19-10(2)8-11;/h4-5,9-11,19H,3,6-8H2,1-2H3,(H,18,22)(H,20,21);1H/t10-,11-;/m0./s1
InChIKeyZMDJUXKANZNGQK-ACMTZBLWSA-N
MW360.29 g/mol
LogP2.84
Rot. Bonds4

About (2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120621169) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is (2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120621169
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-3-18-16(22)13-5-4-12(17)9-14(13)20-15(21)11-6-7-19-10(2)8-11;/h4-5,9-11,19H,3,6-8H2,1-2H3,(H,18,22)(H,20,21);1H/t10-,11-;/m0./s1
InChIKeyZMDJUXKANZNGQK-ACMTZBLWSA-N
XLogP2.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620876
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674
4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
CID 87026899
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120786579
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462
4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride
CID 119936426
(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620445
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
(2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120639907
N-[2-(ethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119284316
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120621169) is (2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZMDJUXKANZNGQK-ACMTZBLWSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c1-3-18-16(22)13-5-4-12(17)9-14(13)20-15(21)11-6-7-19-10(2)8-11;/h4-5,9-11,19H,3,6-8H2,1-2H3,(H,18,22)(H,20,21);1H/t10-,11-;/m0./s1.
What are the key properties of (2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).