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

C21H39N3O3S — CID 4293138

IUPACN-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCCCC3)C2)C1
InChIInChI=1S/C21H39N3O3S/c1-17-13-18(2)15-24(14-17)28(26,27)23-12-8-9-19(16-23)21(25)22-20-10-6-4-3-5-7-11-20/h17-20H,3-16H2,1-2H3,(H,22,25)
InChIKeyLANPKRYUFAXKAL-UHFFFAOYSA-N
MW413.63 g/mol
LogP3.15
Rot. Bonds4

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

N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 4293138) has the molecular formula C21H39N3O3S and a molecular weight of 413.63 g/mol. Its IUPAC name is N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID4293138
Molecular FormulaC21H39N3O3S
Molecular Weight413.63 g/mol
Exact Mass413.27
IUPAC NameN-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCCCC3)C2)C1
InChIInChI=1S/C21H39N3O3S/c1-17-13-18(2)15-24(14-17)28(26,27)23-12-8-9-19(16-23)21(25)22-20-10-6-4-3-5-7-11-20/h17-20H,3-16H2,1-2H3,(H,22,25)
InChIKeyLANPKRYUFAXKAL-UHFFFAOYSA-N
XLogP3.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.63
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 4293138) is N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCCCC3)C2)C1.
What is the InChIKey of N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is LANPKRYUFAXKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O3S/c1-17-13-18(2)15-24(14-17)28(26,27)23-12-8-9-19(16-23)21(25)22-20-10-6-4-3-5-7-11-20/h17-20H,3-16H2,1-2H3,(H,22,25).
What are the key properties of N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 413.63 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4293138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).