1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C23H29FN4O3S — CID 55859239

IUPAC1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H29FN4O3S/c24-19-6-8-22(9-7-19)32(30,31)28-13-3-4-18(16-28)23(29)26-20-10-14-27(15-11-20)17-21-5-1-2-12-25-21/h1-2,5-9,12,18,20H,3-4,10-11,13-17H2,(H,26,29)
InChIKeyXPKGQLCUGDDXTF-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.40
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 55859239) has the molecular formula C23H29FN4O3S and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID55859239
Molecular FormulaC23H29FN4O3S
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H29FN4O3S/c24-19-6-8-22(9-7-19)32(30,31)28-13-3-4-18(16-28)23(29)26-20-10-14-27(15-11-20)17-21-5-1-2-12-25-21/h1-2,5-9,12,18,20H,3-4,10-11,13-17H2,(H,26,29)
InChIKeyXPKGQLCUGDDXTF-UHFFFAOYSA-N
XLogP2.40
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55857840
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
CID 41010253
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27673196
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
cis-(1R,3S)-3-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678343
N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168196
(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 92633582
3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858730
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 55859239) is 1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CCN(Cc2ccccn2)CC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is XPKGQLCUGDDXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3S/c24-19-6-8-22(9-7-19)32(30,31)28-13-3-4-18(16-28)23(29)26-20-10-14-27(15-11-20)17-21-5-1-2-12-25-21/h1-2,5-9,12,18,20H,3-4,10-11,13-17H2,(H,26,29).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 55859239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).