1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide

C23H26F2N2O2 — CID 55593155

IUPAC1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(C)cc1C
InChIInChI=1S/C23H26F2N2O2/c1-4-27(21-8-5-15(2)13-16(21)3)22(28)17-9-11-26(12-10-17)23(29)19-7-6-18(24)14-20(19)25/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyJXMMUPUIOIBPLC-UHFFFAOYSA-N
MW400.47 g/mol
LogP4.49
Rot. Bonds4

About 1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide (PubChem CID 55593155) has the molecular formula C23H26F2N2O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
PubChem CID55593155
Molecular FormulaC23H26F2N2O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC Name1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(C)cc1C
InChIInChI=1S/C23H26F2N2O2/c1-4-27(21-8-5-15(2)13-16(21)3)22(28)17-9-11-26(12-10-17)23(29)19-7-6-18(24)14-20(19)25/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyJXMMUPUIOIBPLC-UHFFFAOYSA-N
XLogP4.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 78855442
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86926948
1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 30992627
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
1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 38692821
1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 84546564
N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55593185
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
[2-(4-methylphenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 39605391
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide (CID 55593155) is 1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide is CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide?
The InChIKey is JXMMUPUIOIBPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O2/c1-4-27(21-8-5-15(2)13-16(21)3)22(28)17-9-11-26(12-10-17)23(29)19-7-6-18(24)14-20(19)25/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of 1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide has a molecular weight of 400.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 55593155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).