1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

C18H22N2O3S — CID 95945588

IUPAC1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2cccc3ccccc23)CC1
InChIInChI=1S/C18H22N2O3S/c1-24(22,23)20-11-9-15(10-12-20)18(21)19-13-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,15H,9-13H2,1H3,(H,19,21)
InChIKeyDSNOKTAOTKULTN-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.13
Rot. Bonds4

About 1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (PubChem CID 95945588) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
PubChem CID95945588
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2cccc3ccccc23)CC1
InChIInChI=1S/C18H22N2O3S/c1-24(22,23)20-11-9-15(10-12-20)18(21)19-13-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,15H,9-13H2,1H3,(H,19,21)
InChIKeyDSNOKTAOTKULTN-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 90524448
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 58702020
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide
CID 56920324
N-[[2-(methanesulfonamido)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55723581
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011
1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 91630198

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (CID 95945588) is 1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2cccc3ccccc23)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DSNOKTAOTKULTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-24(22,23)20-11-9-15(10-12-20)18(21)19-13-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,15H,9-13H2,1H3,(H,19,21).
What are the key properties of 1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 95945588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).