[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone

C25H28F2N2O4 — CID 42938814

IUPAC[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1OC
InChIInChI=1S/C25H28F2N2O4/c1-32-22-8-5-17(14-23(22)33-2)21-4-3-11-29(21)24(30)16-9-12-28(13-10-16)25(31)19-7-6-18(26)15-20(19)27/h5-8,14-16,21H,3-4,9-13H2,1-2H3
InChIKeyMRMUYZGSHOZNDR-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.20
Rot. Bonds5

About [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone

[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 42938814) has the molecular formula C25H28F2N2O4 and a molecular weight of 458.51 g/mol. Its IUPAC name is [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID42938814
Molecular FormulaC25H28F2N2O4
Molecular Weight458.51 g/mol
Exact Mass458.20
IUPAC Name[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1OC
InChIInChI=1S/C25H28F2N2O4/c1-32-22-8-5-17(14-23(22)33-2)21-4-3-11-29(21)24(30)16-9-12-28(13-10-16)25(31)19-7-6-18(26)15-20(19)27/h5-8,14-16,21H,3-4,9-13H2,1-2H3
InChIKeyMRMUYZGSHOZNDR-UHFFFAOYSA-N
XLogP4.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 60589395
(2R,3R)-1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115025
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957927
(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 92597743
(2S)-N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 51930414
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587858
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587857
[1-(4-chlorobenzoyl)piperidin-3-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 134024017
1-(2,4-difluorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 38010862
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone (CID 42938814) is [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCCN2C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1OC.
What is the InChIKey of [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is MRMUYZGSHOZNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O4/c1-32-22-8-5-17(14-23(22)33-2)21-4-3-11-29(21)24(30)16-9-12-28(13-10-16)25(31)19-7-6-18(26)15-20(19)27/h5-8,14-16,21H,3-4,9-13H2,1-2H3.
What are the key properties of [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 458.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42938814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).