1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide

C22H22F2N4O3 — CID 55717016

IUPAC1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H22F2N4O3/c23-15-4-5-18(19(24)12-15)21(30)27-9-6-14(7-10-27)20(29)26-16-2-1-3-17(13-16)28-11-8-25-22(28)31/h1-5,12-14H,6-11H2,(H,25,31)(H,26,29)
InChIKeyTXDXYGARXVIBSM-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.99
Rot. Bonds4

About 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 55717016) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID55717016
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H22F2N4O3/c23-15-4-5-18(19(24)12-15)21(30)27-9-6-14(7-10-27)20(29)26-16-2-1-3-17(13-16)28-11-8-25-22(28)31/h1-5,12-14H,6-11H2,(H,25,31)(H,26,29)
InChIKeyTXDXYGARXVIBSM-UHFFFAOYSA-N
XLogP2.99
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-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-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 56517553
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30992722
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
3-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55717175
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide (CID 55717016) is 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(N2CCNC2=O)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is TXDXYGARXVIBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c23-15-4-5-18(19(24)12-15)21(30)27-9-6-14(7-10-27)20(29)26-16-2-1-3-17(13-16)28-11-8-25-22(28)31/h1-5,12-14H,6-11H2,(H,25,31)(H,26,29).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55717016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).