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

C18H33N3O3S — CID 4536300

IUPACN-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)C1
InChIInChI=1S/C18H33N3O3S/c1-14-10-15(2)12-21(11-14)25(23,24)20-9-5-6-16(13-20)18(22)19-17-7-3-4-8-17/h14-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyZNNNEYBEDXRPOE-UHFFFAOYSA-N
MW371.55 g/mol
LogP1.98
Rot. Bonds4

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

N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 4536300) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID4536300
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)C1
InChIInChI=1S/C18H33N3O3S/c1-14-10-15(2)12-21(11-14)25(23,24)20-9-5-6-16(13-20)18(22)19-17-7-3-4-8-17/h14-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyZNNNEYBEDXRPOE-UHFFFAOYSA-N
XLogP1.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 4536300) is N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)C1.
What is the InChIKey of N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ZNNNEYBEDXRPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-14-10-15(2)12-21(11-14)25(23,24)20-9-5-6-16(13-20)18(22)19-17-7-3-4-8-17/h14-17H,3-13H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4536300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).