1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide

C25H31F2N3O2 — CID 24640246

IUPAC1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCCc1ccc(C(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)N(C)C)cc1
InChIInChI=1S/C25H31F2N3O2/c1-4-17-5-7-18(8-6-17)23(29(2)3)16-28-24(31)19-11-13-30(14-12-19)25(32)21-10-9-20(26)15-22(21)27/h5-10,15,19,23H,4,11-14,16H2,1-3H3,(H,28,31)
InChIKeyCFHFEVXEKBISKZ-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.80
Rot. Bonds7

About 1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 24640246) has the molecular formula C25H31F2N3O2 and a molecular weight of 443.54 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID24640246
Molecular FormulaC25H31F2N3O2
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCCc1ccc(C(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)N(C)C)cc1
InChIInChI=1S/C25H31F2N3O2/c1-4-17-5-7-18(8-6-17)23(29(2)3)16-28-24(31)19-11-13-30(14-12-19)25(32)21-10-9-20(26)15-22(21)27/h5-10,15,19,23H,4,11-14,16H2,1-3H3,(H,28,31)
InChIKeyCFHFEVXEKBISKZ-UHFFFAOYSA-N
XLogP3.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 24649842
tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39961035
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30904401
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26011918
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide
CID 24647193
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide (CID 24640246) is 1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide is CCc1ccc(C(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)N(C)C)cc1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is CFHFEVXEKBISKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N3O2/c1-4-17-5-7-18(8-6-17)23(29(2)3)16-28-24(31)19-11-13-30(14-12-19)25(32)21-10-9-20(26)15-22(21)27/h5-10,15,19,23H,4,11-14,16H2,1-3H3,(H,28,31).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 3.80, 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-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 24640246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).