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

C23H44N4O3S — CID 5099315

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCCN(S(=O)(=O)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C23H44N4O3S/c1-4-22-10-5-6-12-25(22)13-8-11-24-23(28)21-9-7-14-26(18-21)31(29,30)27-16-19(2)15-20(3)17-27/h19-22H,4-18H2,1-3H3,(H,24,28)
InChIKeyAQEKSTLGBKNJNN-UHFFFAOYSA-N
MW456.70 g/mol
LogP2.69
Rot. Bonds8

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

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 5099315) has the molecular formula C23H44N4O3S and a molecular weight of 456.70 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID5099315
Molecular FormulaC23H44N4O3S
Molecular Weight456.70 g/mol
Exact Mass456.31
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCCN(S(=O)(=O)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C23H44N4O3S/c1-4-22-10-5-6-12-25(22)13-8-11-24-23(28)21-9-7-14-26(18-21)31(29,30)27-16-19(2)15-20(3)17-27/h19-22H,4-18H2,1-3H3,(H,24,28)
InChIKeyAQEKSTLGBKNJNN-UHFFFAOYSA-N
XLogP2.69
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide (CID 5099315) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide is CCC1CCCCN1CCCNC(=O)C1CCCN(S(=O)(=O)N2CC(C)CC(C)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is AQEKSTLGBKNJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O3S/c1-4-22-10-5-6-12-25(22)13-8-11-24-23(28)21-9-7-14-26(18-21)31(29,30)27-16-19(2)15-20(3)17-27/h19-22H,4-18H2,1-3H3,(H,24,28).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 456.70 g/mol, XLogP of 2.69, 8 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-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 5099315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).