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

C19H23ClN2OS — CID 119320171

IUPACN-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1Sc1ccccc1)C1CCNCC1
InChIInChI=1S/C19H22N2OS.ClH/c22-19(15-10-12-20-13-11-15)21-14-16-6-4-5-9-18(16)23-17-7-2-1-3-8-17;/h1-9,15,20H,10-14H2,(H,21,22);1H
InChIKeyYJYCHJRWSUAHFR-UHFFFAOYSA-N
MW362.93 g/mol
LogP3.88
Rot. Bonds5

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

N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119320171) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119320171
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1Sc1ccccc1)C1CCNCC1
InChIInChI=1S/C19H22N2OS.ClH/c22-19(15-10-12-20-13-11-15)21-14-16-6-4-5-9-18(16)23-17-7-2-1-3-8-17;/h1-9,15,20H,10-14H2,(H,21,22);1H
InChIKeyYJYCHJRWSUAHFR-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120631432
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119777713
1-[(2-phenylsulfanylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001277
N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119323172
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119320245
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide
CID 119323072
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389903

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119320171) is N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1Sc1ccccc1)C1CCNCC1.
What is the InChIKey of N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is YJYCHJRWSUAHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS.ClH/c22-19(15-10-12-20-13-11-15)21-14-16-6-4-5-9-18(16)23-17-7-2-1-3-8-17;/h1-9,15,20H,10-14H2,(H,21,22);1H.
What are the key properties of N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 362.93 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119320171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).