1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide

C21H40N4O3S — CID 4531200

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCCCC3C)C2)C1
InChIInChI=1S/C21H40N4O3S/c1-17-13-18(2)15-25(14-17)29(27,28)24-11-6-8-20(16-24)21(26)22-9-12-23-10-5-4-7-19(23)3/h17-20H,4-16H2,1-3H3,(H,22,26)
InChIKeyFNGBPQNCGOFHOI-UHFFFAOYSA-N
MW428.64 g/mol
LogP1.91
Rot. Bonds6

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 4531200) has the molecular formula C21H40N4O3S and a molecular weight of 428.64 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID4531200
Molecular FormulaC21H40N4O3S
Molecular Weight428.64 g/mol
Exact Mass428.28
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCCCC3C)C2)C1
InChIInChI=1S/C21H40N4O3S/c1-17-13-18(2)15-25(14-17)29(27,28)24-11-6-8-20(16-24)21(26)22-9-12-23-10-5-4-7-19(23)3/h17-20H,4-16H2,1-3H3,(H,22,26)
InChIKeyFNGBPQNCGOFHOI-UHFFFAOYSA-N
XLogP1.91
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.64
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide (CID 4531200) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCCCC3C)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is FNGBPQNCGOFHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O3S/c1-17-13-18(2)15-25(14-17)29(27,28)24-11-6-8-20(16-24)21(26)22-9-12-23-10-5-4-7-19(23)3/h17-20H,4-16H2,1-3H3,(H,22,26).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 428.64 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 4531200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).