1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide

C25H29F2N3O3 — CID 38692821

IUPAC1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C25H29F2N3O3/c1-3-12-30(16-23(31)28-22-7-5-4-6-17(22)2)24(32)18-10-13-29(14-11-18)25(33)20-9-8-19(26)15-21(20)27/h4-9,15,18H,3,10-14,16H2,1-2H3,(H,28,31)
InChIKeyYLJPTYFEUCIXJY-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.00
Rot. Bonds7

About 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide (PubChem CID 38692821) has the molecular formula C25H29F2N3O3 and a molecular weight of 457.52 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
PubChem CID38692821
Molecular FormulaC25H29F2N3O3
Molecular Weight457.52 g/mol
Exact Mass457.22
IUPAC Name1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C25H29F2N3O3/c1-3-12-30(16-23(31)28-22-7-5-4-6-17(22)2)24(32)18-10-13-29(14-11-18)25(33)20-9-8-19(26)15-21(20)27/h4-9,15,18H,3,10-14,16H2,1-2H3,(H,28,31)
InChIKeyYLJPTYFEUCIXJY-UHFFFAOYSA-N
XLogP4.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide 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

1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 31976227
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 78855442
2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
CID 38692816
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86926948
1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
CID 55593155
1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 46487334
N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 51208693
1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56531234
N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 78803343
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide (CID 38692821) is 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is YLJPTYFEUCIXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O3/c1-3-12-30(16-23(31)28-22-7-5-4-6-17(22)2)24(32)18-10-13-29(14-11-18)25(33)20-9-8-19(26)15-21(20)27/h4-9,15,18H,3,10-14,16H2,1-2H3,(H,28,31).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 457.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 38692821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).