[1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone

C23H25F2NO3 — CID 146542184

IUPAC[1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(C(=O)C2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C23H25F2NO3/c1-23(2,3)29-18-9-6-15(7-10-18)21(27)17-5-4-12-26(14-17)22(28)16-8-11-19(24)20(25)13-16/h6-11,13,17H,4-5,12,14H2,1-3H3
InChIKeyQPCNHYVCBFRLMI-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.88
Rot. Bonds4

About [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone

[1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone (PubChem CID 146542184) has the molecular formula C23H25F2NO3 and a molecular weight of 401.45 g/mol. Its IUPAC name is [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone.

Molecular Properties

Compound Name[1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
PubChem CID146542184
Molecular FormulaC23H25F2NO3
Molecular Weight401.45 g/mol
Exact Mass401.18
IUPAC Name[1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(C(=O)C2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C23H25F2NO3/c1-23(2,3)29-18-9-6-15(7-10-18)21(27)17-5-4-12-26(14-17)22(28)16-8-11-19(24)20(25)13-16/h6-11,13,17H,4-5,12,14H2,1-3H3
InChIKeyQPCNHYVCBFRLMI-UHFFFAOYSA-N
XLogP4.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]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

methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
2-[1-(3,4-difluorobenzoyl)piperidine-3-carbonyl]benzonitrile
CID 146544083
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082606
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The IUPAC name of [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone (CID 146542184) is [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone.
What is the SMILES notation for [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The canonical SMILES for [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone is CC(C)(C)Oc1ccc(C(=O)C2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1.
What is the InChIKey of [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The InChIKey is QPCNHYVCBFRLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2NO3/c1-23(2,3)29-18-9-6-15(7-10-18)21(27)17-5-4-12-26(14-17)22(28)16-8-11-19(24)20(25)13-16/h6-11,13,17H,4-5,12,14H2,1-3H3.
What are the key properties of [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
[1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone has a molecular weight of 401.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorobenzoyl)piperidin-3-yl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone is sourced from PubChem (CID 146542184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).