(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C20H25ClN2OS — CID 120631432

IUPAC(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccccc2Sc2ccccc2)CCN1.Cl
InChIInChI=1S/C20H24N2OS.ClH/c1-15-13-16(11-12-21-15)20(23)22-14-17-7-5-6-10-19(17)24-18-8-3-2-4-9-18;/h2-10,15-16,21H,11-14H2,1H3,(H,22,23);1H/t15-,16-;/m0./s1
InChIKeyLIWKWRUJTLSRNO-MOGJOVFKSA-N
MW376.95 g/mol
LogP4.26
Rot. Bonds5

About (2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120631432) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120631432
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC Name(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccccc2Sc2ccccc2)CCN1.Cl
InChIInChI=1S/C20H24N2OS.ClH/c1-15-13-16(11-12-21-15)20(23)22-14-17-7-5-6-10-19(17)24-18-8-3-2-4-9-18;/h2-10,15-16,21H,11-14H2,1H3,(H,22,23);1H/t15-,16-;/m0./s1
InChIKeyLIWKWRUJTLSRNO-MOGJOVFKSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320171
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631658
(2S,4S)-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120626375
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632730
(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120631457
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120632731

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120631432) is (2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCc2ccccc2Sc2ccccc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is LIWKWRUJTLSRNO-MOGJOVFKSA-N. The full InChI is InChI=1S/C20H24N2OS.ClH/c1-15-13-16(11-12-21-15)20(23)22-14-17-7-5-6-10-19(17)24-18-8-3-2-4-9-18;/h2-10,15-16,21H,11-14H2,1H3,(H,22,23);1H/t15-,16-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120631432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).