1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide

C17H33N3O4S — CID 4079356

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(S(=O)(=O)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C17H33N3O4S/c1-14-10-15(2)12-20(11-14)25(22,23)19-8-4-6-16(13-19)17(21)18-7-5-9-24-3/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyMPSPYTKRKOQVHZ-UHFFFAOYSA-N
MW375.54 g/mol
LogP1.07
Rot. Bonds7

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide (PubChem CID 4079356) has the molecular formula C17H33N3O4S and a molecular weight of 375.54 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
PubChem CID4079356
Molecular FormulaC17H33N3O4S
Molecular Weight375.54 g/mol
Exact Mass375.22
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(S(=O)(=O)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C17H33N3O4S/c1-14-10-15(2)12-20(11-14)25(22,23)19-8-4-6-16(13-19)17(21)18-7-5-9-24-3/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyMPSPYTKRKOQVHZ-UHFFFAOYSA-N
XLogP1.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 51.07
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-methoxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide (CID 4079356) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide is COCCCNC(=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-methoxypropyl)piperidine-3-carboxamide?
The InChIKey is MPSPYTKRKOQVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4S/c1-14-10-15(2)12-20(11-14)25(22,23)19-8-4-6-16(13-19)17(21)18-7-5-9-24-3/h14-16H,4-13H2,1-3H3,(H,18,21).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide has a molecular weight of 375.54 g/mol, XLogP of 1.07, 7 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-methoxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 4079356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).