1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide

C21H31ClN2OS — CID 43922924

IUPAC1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide
SMILESO=C(NCCSC1CCCCC1)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H31ClN2OS/c22-19-10-8-17(9-11-19)15-24-13-4-5-18(16-24)21(25)23-12-14-26-20-6-2-1-3-7-20/h8-11,18,20H,1-7,12-16H2,(H,23,25)
InChIKeyYYGJFNDVUAEJTJ-UHFFFAOYSA-N
MW395.01 g/mol
LogP4.73
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide (PubChem CID 43922924) has the molecular formula C21H31ClN2OS and a molecular weight of 395.01 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide
PubChem CID43922924
Molecular FormulaC21H31ClN2OS
Molecular Weight395.01 g/mol
Exact Mass394.18
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide
SMILESO=C(NCCSC1CCCCC1)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H31ClN2OS/c22-19-10-8-17(9-11-19)15-24-13-4-5-18(16-24)21(25)23-12-14-26-20-6-2-1-3-7-20/h8-11,18,20H,1-7,12-16H2,(H,23,25)
InChIKeyYYGJFNDVUAEJTJ-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.01
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexylsulfanylethyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43922931
1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide
CID 45015794
1-[(4-chlorophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43920628
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
1-[(4-chlorophenyl)methyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 43920787
(3R)-N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93491105
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylsulfanylethyl)piperidine-3-carboxamide
CID 32543820
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 100777778
1-[(4-chlorophenyl)methyl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 43922965
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922745

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide (CID 43922924) is 1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide is O=C(NCCSC1CCCCC1)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide?
The InChIKey is YYGJFNDVUAEJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2OS/c22-19-10-8-17(9-11-19)15-24-13-4-5-18(16-24)21(25)23-12-14-26-20-6-2-1-3-7-20/h8-11,18,20H,1-7,12-16H2,(H,23,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide has a molecular weight of 395.01 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43922924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).