[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone

C22H24FNO4 — CID 110394232

IUPAC[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)c(C)c3)CC2)cc1OC
InChIInChI=1S/C22H24FNO4/c1-14-12-16(4-6-18(14)23)21(25)15-8-10-24(11-9-15)22(26)17-5-7-19(27-2)20(13-17)28-3/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyQMAPKCUAAPYKFP-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.89
Rot. Bonds5

About [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone

[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone (PubChem CID 110394232) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone
PubChem CID110394232
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Name[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)c(C)c3)CC2)cc1OC
InChIInChI=1S/C22H24FNO4/c1-14-12-16(4-6-18(14)23)21(25)15-8-10-24(11-9-15)22(26)17-5-7-19(27-2)20(13-17)28-3/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyQMAPKCUAAPYKFP-UHFFFAOYSA-N
XLogP3.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)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

(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1005497
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
(2,5-difluorophenyl)-[1-(4-hexoxy-3-methoxybenzoyl)piperidin-4-yl]methanone
CID 55748083
(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236873
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone (CID 110394232) is [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone is COc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)c(C)c3)CC2)cc1OC.
What is the InChIKey of [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is QMAPKCUAAPYKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-14-12-16(4-6-18(14)23)21(25)15-8-10-24(11-9-15)22(26)17-5-7-19(27-2)20(13-17)28-3/h4-7,12-13,15H,8-11H2,1-3H3.
What are the key properties of [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone?
[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 385.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 110394232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).