1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

C17H33N3O3S — CID 3451176

IUPAC1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCCC2C)C1
InChIInChI=1S/C17H33N3O3S/c1-3-24(22,23)20-13-6-9-16(14-20)17(21)18-10-7-12-19-11-5-4-8-15(19)2/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyCQBQCWFAFPQEAG-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.43
Rot. Bonds7

About 1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 3451176) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID3451176
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC Name1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCCC2C)C1
InChIInChI=1S/C17H33N3O3S/c1-3-24(22,23)20-13-6-9-16(14-20)17(21)18-10-7-12-19-11-5-4-8-15(19)2/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyCQBQCWFAFPQEAG-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.43
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-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (CID 3451176) is 1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCCC2C)C1.
What is the InChIKey of 1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is CQBQCWFAFPQEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-3-24(22,23)20-13-6-9-16(14-20)17(21)18-10-7-12-19-11-5-4-8-15(19)2/h15-16H,3-14H2,1-2H3,(H,18,21).
What are the key properties of 1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 3451176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).