N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide

C15H23N3O3S — CID 110821222

IUPACN-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-2-3-12-22(20,21)17-14-6-10-18(11-7-14)15(19)13-4-8-16-9-5-13/h4-5,8-9,14,17H,2-3,6-7,10-12H2,1H3
InChIKeySVOGDKLYIRAGAZ-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.41
Rot. Bonds6

About N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide (PubChem CID 110821222) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
PubChem CID110821222
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-2-3-12-22(20,21)17-14-6-10-18(11-7-14)15(19)13-4-8-16-9-5-13/h4-5,8-9,14,17H,2-3,6-7,10-12H2,1H3
InChIKeySVOGDKLYIRAGAZ-UHFFFAOYSA-N
XLogP1.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 38817744
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
N-[1-[4-(4-bromopyrazol-1-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 34354125
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655289
N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655242
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide (CID 110821222) is N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide?
The InChIKey is SVOGDKLYIRAGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-3-12-22(20,21)17-14-6-10-18(11-7-14)15(19)13-4-8-16-9-5-13/h4-5,8-9,14,17H,2-3,6-7,10-12H2,1H3.
What are the key properties of N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide?
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 110821222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).