1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide

C15H20FN3O4S — CID 25161663

IUPAC1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H20FN3O4S/c16-12-3-1-2-4-13(12)24(22,23)18-8-5-14(20)19-9-6-11(7-10-19)15(17)21/h1-4,11,18H,5-10H2,(H2,17,21)
InChIKeyXJVBNQDIUBSDGG-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.22
Rot. Bonds6

About 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide

1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide (PubChem CID 25161663) has the molecular formula C15H20FN3O4S and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide
PubChem CID25161663
Molecular FormulaC15H20FN3O4S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H20FN3O4S/c16-12-3-1-2-4-13(12)24(22,23)18-8-5-14(20)19-9-6-11(7-10-19)15(17)21/h1-4,11,18H,5-10H2,(H2,17,21)
InChIKeyXJVBNQDIUBSDGG-UHFFFAOYSA-N
XLogP0.22
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 651280
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
1-[1-(Benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 1084370
1-[3-[4-(2-Methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 1287856
N-cycloheptyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327626
N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 2059107
N-[3-(4-methyl-1-piperidinyl)-3-oxopropyl]benzenesulfonamide
CID 2537450

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide (CID 25161663) is 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
The InChIKey is XJVBNQDIUBSDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4S/c16-12-3-1-2-4-13(12)24(22,23)18-8-5-14(20)19-9-6-11(7-10-19)15(17)21/h1-4,11,18H,5-10H2,(H2,17,21).
What are the key properties of 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 25161663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).