1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide

C17H33N3O3S — CID 119556402

IUPAC1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCC2CCCNC2)CC1
InChIInChI=1S/C17H33N3O3S/c1-2-3-13-24(22,23)20-11-7-16(8-12-20)17(21)19-10-6-15-5-4-9-18-14-15/h15-16,18H,2-14H2,1H3,(H,19,21)
InChIKeyWVGWHIAFSMNJAE-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.33
Rot. Bonds8

About 1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide

1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide (PubChem CID 119556402) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide
PubChem CID119556402
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC Name1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCC2CCCNC2)CC1
InChIInChI=1S/C17H33N3O3S/c1-2-3-13-24(22,23)20-11-7-16(8-12-20)17(21)19-10-6-15-5-4-9-18-14-15/h15-16,18H,2-14H2,1H3,(H,19,21)
InChIKeyWVGWHIAFSMNJAE-UHFFFAOYSA-N
XLogP1.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide
CID 119461322
N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 119554979
1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119446203
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721
1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 119460608
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
2-butoxy-N-(2-piperidin-3-ylethyl)acetamide
CID 119556293

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide (CID 119556402) is 1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCCC2CCCNC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide?
The InChIKey is WVGWHIAFSMNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-2-3-13-24(22,23)20-11-7-16(8-12-20)17(21)19-10-6-15-5-4-9-18-14-15/h15-16,18H,2-14H2,1H3,(H,19,21).
What are the key properties of 1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide?
1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119556402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).