N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide

C15H22N2O3S — CID 52999238

IUPACN-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(8-10-17(11-9-15)21(2,19)20)14(18)16-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,18)
InChIKeyJBEVKXUDEVTREB-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.36
Rot. Bonds4

About N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide

N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 52999238) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID52999238
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(8-10-17(11-9-15)21(2,19)20)14(18)16-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,18)
InChIKeyJBEVKXUDEVTREB-UHFFFAOYSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide
CID 52999250
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
N-[(3-fluorophenyl)methyl]-3-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 53117562
N-[(4-fluorophenyl)methyl]-4-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 53070906
(3R)-N-benzyl-1-(4-ethylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088364
4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998894
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide
CID 46326816
1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999288
(3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95088355

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide (CID 52999238) is N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide is CC1(C(=O)NCc2ccccc2)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is JBEVKXUDEVTREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(8-10-17(11-9-15)21(2,19)20)14(18)16-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,18).
What are the key properties of N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide?
N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 52999238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).