1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide

C16H31N3O3S — CID 119461322

IUPAC1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCC2CCCNC2)CC1
InChIInChI=1S/C16H31N3O3S/c1-2-3-11-23(21,22)19-9-6-15(7-10-19)16(20)18-13-14-5-4-8-17-12-14/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyUMSHHHVPXCPLGQ-UHFFFAOYSA-N
MW345.51 g/mol
LogP0.94
Rot. Bonds7

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

1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 119461322) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID119461322
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC Name1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCC2CCCNC2)CC1
InChIInChI=1S/C16H31N3O3S/c1-2-3-11-23(21,22)19-9-6-15(7-10-19)16(20)18-13-14-5-4-8-17-12-14/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyUMSHHHVPXCPLGQ-UHFFFAOYSA-N
XLogP0.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide
CID 119556402
1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 119460608
1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119446203
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide;hydrochloride
CID 119260134
N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 119554979
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
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine
CID 91910159
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide (CID 119461322) is 1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCC2CCCNC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is UMSHHHVPXCPLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-2-3-11-23(21,22)19-9-6-15(7-10-19)16(20)18-13-14-5-4-8-17-12-14/h14-15,17H,2-13H2,1H3,(H,18,20).
What are the key properties of 1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide?
1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119461322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).