N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide

C17H31N3O3S — CID 5240507

IUPACN-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)CC1
InChIInChI=1S/C17H31N3O3S/c1-14-6-10-19(11-7-14)24(22,23)20-12-8-15(9-13-20)17(21)18-16-4-2-3-5-16/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyXKYJRGDPUBAFQQ-UHFFFAOYSA-N
MW357.52 g/mol
LogP1.73
Rot. Bonds4

About N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide

N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 5240507) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
PubChem CID5240507
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC NameN-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)CC1
InChIInChI=1S/C17H31N3O3S/c1-14-6-10-19(11-7-14)24(22,23)20-12-8-15(9-13-20)17(21)18-16-4-2-3-5-16/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyXKYJRGDPUBAFQQ-UHFFFAOYSA-N
XLogP1.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (CID 5240507) is N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is CC1CCN(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)CC1.
What is the InChIKey of N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XKYJRGDPUBAFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S/c1-14-6-10-19(11-7-14)24(22,23)20-12-8-15(9-13-20)17(21)18-16-4-2-3-5-16/h14-16H,2-13H2,1H3,(H,18,21).
What are the key properties of N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5240507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).