1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide

C20H37N3O3S — CID 4070416

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3C)C2)C1
InChIInChI=1S/C20H37N3O3S/c1-15-11-16(2)13-23(12-15)27(25,26)22-10-6-8-18(14-22)20(24)21-19-9-5-4-7-17(19)3/h15-19H,4-14H2,1-3H3,(H,21,24)
InChIKeyXFGIONNEHGAZPS-UHFFFAOYSA-N
MW399.60 g/mol
LogP2.62
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide (PubChem CID 4070416) has the molecular formula C20H37N3O3S and a molecular weight of 399.60 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
PubChem CID4070416
Molecular FormulaC20H37N3O3S
Molecular Weight399.60 g/mol
Exact Mass399.26
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3C)C2)C1
InChIInChI=1S/C20H37N3O3S/c1-15-11-16(2)13-23(12-15)27(25,26)22-10-6-8-18(14-22)20(24)21-19-9-5-4-7-17(19)3/h15-19H,4-14H2,1-3H3,(H,21,24)
InChIKeyXFGIONNEHGAZPS-UHFFFAOYSA-N
XLogP2.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide (CID 4070416) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3C)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is XFGIONNEHGAZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3S/c1-15-11-16(2)13-23(12-15)27(25,26)22-10-6-8-18(14-22)20(24)21-19-9-5-4-7-17(19)3/h15-19H,4-14H2,1-3H3,(H,21,24).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide has a molecular weight of 399.60 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 4070416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).