(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C18H27ClN2OS — CID 120622975

IUPAC(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccccc2SC2CCCC2)CCN1.Cl
InChIInChI=1S/C18H26N2OS.ClH/c1-13-12-14(10-11-19-13)18(21)20-16-8-4-5-9-17(16)22-15-6-2-3-7-15;/h4-5,8-9,13-15,19H,2-3,6-7,10-12H2,1H3,(H,20,21);1H/t13-,14-;/m0./s1
InChIKeyBDSQNJRHICSOBK-IODNYQNNSA-N
MW354.95 g/mol
LogP4.47
Rot. Bonds4

About (2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120622975) has the molecular formula C18H27ClN2OS and a molecular weight of 354.95 g/mol. Its IUPAC name is (2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120622975
Molecular FormulaC18H27ClN2OS
Molecular Weight354.95 g/mol
Exact Mass354.15
IUPAC Name(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccccc2SC2CCCC2)CCN1.Cl
InChIInChI=1S/C18H26N2OS.ClH/c1-13-12-14(10-11-19-13)18(21)20-16-8-4-5-9-17(16)22-15-6-2-3-7-15;/h4-5,8-9,13-15,19H,2-3,6-7,10-12H2,1H3,(H,20,21);1H/t13-,14-;/m0./s1
InChIKeyBDSQNJRHICSOBK-IODNYQNNSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.95
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 120620303
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 103795387
(2S,4S)-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630815
2-[(2-cyclopentylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941402
(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
CID 120616695
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
(2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120644886
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120622975) is (2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccccc2SC2CCCC2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is BDSQNJRHICSOBK-IODNYQNNSA-N. The full InChI is InChI=1S/C18H26N2OS.ClH/c1-13-12-14(10-11-19-13)18(21)20-16-8-4-5-9-17(16)22-15-6-2-3-7-15;/h4-5,8-9,13-15,19H,2-3,6-7,10-12H2,1H3,(H,20,21);1H/t13-,14-;/m0./s1.
What are the key properties of (2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 354.95 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120622975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).