[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone

C22H25FN4O4S — CID 30894608

IUPAC[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(c1ccccc1F)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C22H25FN4O4S/c23-20-6-2-1-5-19(20)22(29)26-14-12-25(13-15-26)21(28)17-7-10-27(11-8-17)32(30,31)18-4-3-9-24-16-18/h1-6,9,16-17H,7-8,10-15H2
InChIKeyDBMHFHOIIGTHKZ-UHFFFAOYSA-N
MW460.53 g/mol
LogP1.61
Rot. Bonds4

About [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone

[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 30894608) has the molecular formula C22H25FN4O4S and a molecular weight of 460.53 g/mol. Its IUPAC name is [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
PubChem CID30894608
Molecular FormulaC22H25FN4O4S
Molecular Weight460.53 g/mol
Exact Mass460.16
IUPAC Name[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(c1ccccc1F)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C22H25FN4O4S/c23-20-6-2-1-5-19(20)22(29)26-14-12-25(13-15-26)21(28)17-7-10-27(11-8-17)32(30,31)18-4-3-9-24-16-18/h1-6,9,16-17H,7-8,10-15H2
InChIKeyDBMHFHOIIGTHKZ-UHFFFAOYSA-N
XLogP1.61
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone with MolForge

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Related Compounds

(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46602664
[2-(2-fluorophenyl)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46603007
(4-cyclopentylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 3240878
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
(2,6-dimethylmorpholin-4-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46407466
3-fluoro-1-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529795
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
[4-(4-nitrophenyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46602463
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 30885823
2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 4137819
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone (CID 30894608) is [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone is O=C(c1ccccc1F)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1.
What is the InChIKey of [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is DBMHFHOIIGTHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S/c23-20-6-2-1-5-19(20)22(29)26-14-12-25(13-15-26)21(28)17-7-10-27(11-8-17)32(30,31)18-4-3-9-24-16-18/h1-6,9,16-17H,7-8,10-15H2.
What are the key properties of [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 460.53 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 30894608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).