N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H30N2O3S — CID 1326327

IUPACN-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-16-8-10-19(11-9-16)26(24,25)22-14-12-17(13-15-22)20(23)21-18-6-4-2-3-5-7-18/h8-11,17-18H,2-7,12-15H2,1H3,(H,21,23)
InChIKeyJPKBXLDXYCGYJW-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.23
Rot. Bonds4

About N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1326327) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1326327
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-16-8-10-19(11-9-16)26(24,25)22-14-12-17(13-15-22)20(23)21-18-6-4-2-3-5-7-18/h8-11,17-18H,2-7,12-15H2,1H3,(H,21,23)
InChIKeyJPKBXLDXYCGYJW-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 1326327) is N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1.
What is the InChIKey of N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JPKBXLDXYCGYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-16-8-10-19(11-9-16)26(24,25)22-14-12-17(13-15-22)20(23)21-18-6-4-2-3-5-7-18/h8-11,17-18H,2-7,12-15H2,1H3,(H,21,23).
What are the key properties of N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1326327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).