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

C16H25N3O3S — CID 6472190

IUPAC1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C16H25N3O3S/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/h4-5,8,12,15H,2-3,6-7,9-11,13H2,1H3,(H,18,20)
InChIKeyKUEYJWSCAUHAFM-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.54
Rot. Bonds7

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

1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 6472190) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID6472190
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C16H25N3O3S/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/h4-5,8,12,15H,2-3,6-7,9-11,13H2,1H3,(H,18,20)
InChIKeyKUEYJWSCAUHAFM-UHFFFAOYSA-N
XLogP1.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
1-butylsulfonyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55837999
1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 113005041
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3245670
1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 47047056
1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 28641556
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 110709141

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 6472190) is 1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KUEYJWSCAUHAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/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/h4-5,8,12,15H,2-3,6-7,9-11,13H2,1H3,(H,18,20).
What are the key properties of 1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 6472190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).