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

C15H22N2O3S — CID 900317

IUPACN-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O3S/c1-16(12-13-6-4-3-5-7-13)15(18)14-8-10-17(11-9-14)21(2,19)20/h3-7,14H,8-12H2,1-2H3
InChIKeyDMOIYHWOMTVZKS-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.32
Rot. Bonds4

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

N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 900317) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID900317
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O3S/c1-16(12-13-6-4-3-5-7-13)15(18)14-8-10-17(11-9-14)21(2,19)20/h3-7,14H,8-12H2,1-2H3
InChIKeyDMOIYHWOMTVZKS-UHFFFAOYSA-N
XLogP1.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (CID 900317) is N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DMOIYHWOMTVZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-16(12-13-6-4-3-5-7-13)15(18)14-8-10-17(11-9-14)21(2,19)20/h3-7,14H,8-12H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 900317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).