[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone

C21H22FNO4 — CID 46906356

IUPAC[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C21H22FNO4/c1-26-17-7-8-18(19(13-17)27-2)21(25)23-11-9-15(10-12-23)20(24)14-3-5-16(22)6-4-14/h3-8,13,15H,9-12H2,1-2H3
InChIKeyFQYXJFBNPBIRHA-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.58
Rot. Bonds5

About [1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone

[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 46906356) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is [1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID46906356
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C21H22FNO4/c1-26-17-7-8-18(19(13-17)27-2)21(25)23-11-9-15(10-12-23)20(24)14-3-5-16(22)6-4-14/h3-8,13,15H,9-12H2,1-2H3
InChIKeyFQYXJFBNPBIRHA-UHFFFAOYSA-N
XLogP3.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475454
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(2,4-dimethoxyphenyl)-[4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]piperidin-1-yl]methanone
CID 22083140
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
(2,4-dimethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999763
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 46906356) is [1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone is COc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC)c1.
What is the InChIKey of [1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is FQYXJFBNPBIRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-26-17-7-8-18(19(13-17)27-2)21(25)23-11-9-15(10-12-23)20(24)14-3-5-16(22)6-4-14/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of [1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 371.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46906356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).