(3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone

C21H22FNO4 — CID 24794259

IUPAC(3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C21H22FNO4/c1-26-18-10-7-15(12-19(18)27-2)20(24)16-4-3-11-23(13-16)21(25)14-5-8-17(22)9-6-14/h5-10,12,16H,3-4,11,13H2,1-2H3
InChIKeyNSYRCTMMDPVBCP-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.58
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone

(3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone (PubChem CID 24794259) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
PubChem CID24794259
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name(3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C21H22FNO4/c1-26-18-10-7-15(12-19(18)27-2)20(24)16-4-3-11-23(13-16)21(25)14-5-8-17(22)9-6-14/h5-10,12,16H,3-4,11,13H2,1-2H3
InChIKeyNSYRCTMMDPVBCP-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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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone (CID 24794259) is (3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone is COc1ccc(C(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The InChIKey is NSYRCTMMDPVBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-26-18-10-7-15(12-19(18)27-2)20(24)16-4-3-11-23(13-16)21(25)14-5-8-17(22)9-6-14/h5-10,12,16H,3-4,11,13H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
(3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]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 (3,4-dimethoxyphenyl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 24794259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).