N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

C19H35N3O3S — CID 3317219

IUPACN-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)C2)C1
InChIInChI=1S/C19H35N3O3S/c1-15-11-16(2)13-22(12-15)26(24,25)21-10-6-7-17(14-21)19(23)20-18-8-4-3-5-9-18/h15-18H,3-14H2,1-2H3,(H,20,23)
InChIKeyWFQZAUSAZAKPQI-UHFFFAOYSA-N
MW385.57 g/mol
LogP2.37
Rot. Bonds4

About N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 3317219) has the molecular formula C19H35N3O3S and a molecular weight of 385.57 g/mol. Its IUPAC name is N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID3317219
Molecular FormulaC19H35N3O3S
Molecular Weight385.57 g/mol
Exact Mass385.24
IUPAC NameN-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)C2)C1
InChIInChI=1S/C19H35N3O3S/c1-15-11-16(2)13-22(12-15)26(24,25)21-10-6-7-17(14-21)19(23)20-18-8-4-3-5-9-18/h15-18H,3-14H2,1-2H3,(H,20,23)
InChIKeyWFQZAUSAZAKPQI-UHFFFAOYSA-N
XLogP2.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.57
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 3317219) is N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)C2)C1.
What is the InChIKey of N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is WFQZAUSAZAKPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3S/c1-15-11-16(2)13-22(12-15)26(24,25)21-10-6-7-17(14-21)19(23)20-18-8-4-3-5-9-18/h15-18H,3-14H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 385.57 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3317219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).