1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

C23H24N2O3S — CID 58702020

IUPAC1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H24N2O3S/c26-23(24-16-19-10-6-9-18-8-4-5-14-22(18)19)20-11-7-15-25(17-20)29(27,28)21-12-2-1-3-13-21/h1-6,8-10,12-14,20H,7,11,15-17H2,(H,24,26)
InChIKeyWFKRLNGHJLGPKN-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.56
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (PubChem CID 58702020) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
PubChem CID58702020
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H24N2O3S/c26-23(24-16-19-10-6-9-18-8-4-5-14-22(18)19)20-11-7-15-25(17-20)29(27,28)21-12-2-1-3-13-21/h1-6,8-10,12-14,20H,7,11,15-17H2,(H,24,26)
InChIKeyWFKRLNGHJLGPKN-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 38741196
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 100779760
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 24636962
1-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 74645148
(3S)-1-(benzenesulfonyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 100659789
(3R)-1-(benzenesulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 100659745
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (CID 58702020) is 1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccc2ccccc12)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The InChIKey is WFKRLNGHJLGPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c26-23(24-16-19-10-6-9-18-8-4-5-14-22(18)19)20-11-7-15-25(17-20)29(27,28)21-12-2-1-3-13-21/h1-6,8-10,12-14,20H,7,11,15-17H2,(H,24,26).
What are the key properties of 1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 58702020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).