(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone

C20H20FNO2 — CID 110394780

IUPAC(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H20FNO2/c1-14-4-2-5-16(12-14)20(24)22-11-3-6-17(13-22)19(23)15-7-9-18(21)10-8-15/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3
InChIKeyPTMOGRAXIQGHDL-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.87
Rot. Bonds3

About (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone

(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone (PubChem CID 110394780) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
PubChem CID110394780
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H20FNO2/c1-14-4-2-5-16(12-14)20(24)22-11-3-6-17(13-22)19(23)15-7-9-18(21)10-8-15/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3
InChIKeyPTMOGRAXIQGHDL-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
[3-(4-fluorophenyl)azepan-1-yl]-(3-methylphenyl)methanone
CID 90608748
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45202126
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 71919840
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone (CID 110394780) is (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone is Cc1cccc(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone?
The InChIKey is PTMOGRAXIQGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14-4-2-5-16(12-14)20(24)22-11-3-6-17(13-22)19(23)15-7-9-18(21)10-8-15/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone?
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone has a molecular weight of 325.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 110394780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).