1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide

C15H21N3O4S — CID 53498071

IUPAC1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H21N3O4S/c1-23(21,22)13-4-2-11(3-5-13)10-17-15(20)18-8-6-12(7-9-18)14(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeySPBDFPUDXUKYGP-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.50
Rot. Bonds4

About 1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide

1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 53498071) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID53498071
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H21N3O4S/c1-23(21,22)13-4-2-11(3-5-13)10-17-15(20)18-8-6-12(7-9-18)14(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeySPBDFPUDXUKYGP-UHFFFAOYSA-N
XLogP0.50
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide (CID 53498071) is 1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide is CS(=O)(=O)c1ccc(CNC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is SPBDFPUDXUKYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-23(21,22)13-4-2-11(3-5-13)10-17-15(20)18-8-6-12(7-9-18)14(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide?
1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 53498071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).