N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide

C21H25N3O4S — CID 174247981

IUPACN-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCN(CC(C=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-29(27,28)23-20-6-4-16(5-7-20)21(26)17-8-11-24(12-9-17)14-19(15-25)18-3-2-10-22-13-18/h2-7,10,13,15,17,19,23H,8-9,11-12,14H2,1H3
InChIKeyMDZNUHIQRYZZKZ-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.33
Rot. Bonds8

About N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide

N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide (PubChem CID 174247981) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
PubChem CID174247981
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCN(CC(C=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-29(27,28)23-20-6-4-16(5-7-20)21(26)17-8-11-24(12-9-17)14-19(15-25)18-3-2-10-22-13-18/h2-7,10,13,15,17,19,23H,8-9,11-12,14H2,1H3
InChIKeyMDZNUHIQRYZZKZ-UHFFFAOYSA-N
XLogP2.33
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(pyridin-3-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
CID 14130060
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
CID 15816994
N-[4-(cyclopropanecarbonyl)phenyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425839
N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
CID 62907557
[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone
CID 174877965
N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide
CID 97464244
N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide
CID 14130136
N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide
CID 136529734
N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide
CID 139760436
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
CID 19801797

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide (CID 174247981) is N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)C2CCN(CC(C=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide?
The InChIKey is MDZNUHIQRYZZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-29(27,28)23-20-6-4-16(5-7-20)21(26)17-8-11-24(12-9-17)14-19(15-25)18-3-2-10-22-13-18/h2-7,10,13,15,17,19,23H,8-9,11-12,14H2,1H3.
What are the key properties of N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide?
N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 174247981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).