N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide

C20H37N3O3S — CID 3688971

IUPACN-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NC3CCCC(C)C3C)CC2)CC1
InChIInChI=1S/C20H37N3O3S/c1-15-7-11-22(12-8-15)27(25,26)23-13-9-18(10-14-23)20(24)21-19-6-4-5-16(2)17(19)3/h15-19H,4-14H2,1-3H3,(H,21,24)
InChIKeyMXMAUZXTRHKRIV-UHFFFAOYSA-N
MW399.60 g/mol
LogP2.62
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide

N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 3688971) has the molecular formula C20H37N3O3S and a molecular weight of 399.60 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
PubChem CID3688971
Molecular FormulaC20H37N3O3S
Molecular Weight399.60 g/mol
Exact Mass399.26
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NC3CCCC(C)C3C)CC2)CC1
InChIInChI=1S/C20H37N3O3S/c1-15-7-11-22(12-8-15)27(25,26)23-13-9-18(10-14-23)20(24)21-19-6-4-5-16(2)17(19)3/h15-19H,4-14H2,1-3H3,(H,21,24)
InChIKeyMXMAUZXTRHKRIV-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 N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (CID 3688971) is N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is CC1CCN(S(=O)(=O)N2CCC(C(=O)NC3CCCC(C)C3C)CC2)CC1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MXMAUZXTRHKRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3S/c1-15-7-11-22(12-8-15)27(25,26)23-13-9-18(10-14-23)20(24)21-19-6-4-5-16(2)17(19)3/h15-19H,4-14H2,1-3H3,(H,21,24).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-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 N-(2,3-dimethylcyclohexyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3688971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).