(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide

C23H23ClN2O3S — CID 92641554

IUPAC(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C23H23ClN2O3S/c24-21-12-4-2-8-19(21)16-30(28,29)26-14-6-10-18(15-26)23(27)25-22-13-5-9-17-7-1-3-11-20(17)22/h1-5,7-9,11-13,18H,6,10,14-16H2,(H,25,27)/t18-/m1/s1
InChIKeyUIWOZCMINPITKI-GOSISDBHSA-N
MW442.97 g/mol
LogP4.67
Rot. Bonds5

About (3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide

(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 92641554) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is (3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID92641554
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C23H23ClN2O3S/c24-21-12-4-2-8-19(21)16-30(28,29)26-14-6-10-18(15-26)23(27)25-22-13-5-9-17-7-1-3-11-20(17)22/h1-5,7-9,11-13,18H,6,10,14-16H2,(H,25,27)/t18-/m1/s1
InChIKeyUIWOZCMINPITKI-GOSISDBHSA-N
XLogP4.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 92641578
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92641636
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641545
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
1-[(2-chlorophenyl)methylsulfonyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 50809028
(3R)-N-(3-acetylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641632
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 92641524
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 92641525
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 92641571
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92641615
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1078452

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 92641554) is (3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide is O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is UIWOZCMINPITKI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c24-21-12-4-2-8-19(21)16-30(28,29)26-14-6-10-18(15-26)23(27)25-22-13-5-9-17-7-1-3-11-20(17)22/h1-5,7-9,11-13,18H,6,10,14-16H2,(H,25,27)/t18-/m1/s1.
What are the key properties of (3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 442.97 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92641554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).