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

C20H23ClN2OS — CID 43924979

IUPAC1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN2OS/c1-25-19-7-3-2-6-18(19)22-20(24)16-5-4-12-23(14-16)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,24)
InChIKeyVWQPIOBBMBKQDT-UHFFFAOYSA-N
MW374.94 g/mol
LogP4.91
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide (PubChem CID 43924979) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
PubChem CID43924979
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN2OS/c1-25-19-7-3-2-6-18(19)22-20(24)16-5-4-12-23(14-16)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,24)
InChIKeyVWQPIOBBMBKQDT-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.94
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
1-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923926
(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92851241
N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46776821
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
methyl 2-[[1-[(4-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43919883
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-[(4-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43922850
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide (CID 43924979) is 1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide is CSc1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide?
The InChIKey is VWQPIOBBMBKQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c1-25-19-7-3-2-6-18(19)22-20(24)16-5-4-12-23(14-16)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide has a molecular weight of 374.94 g/mol, XLogP of 4.91, 5 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-methylsulfanylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43924979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).