1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C20H25F5N2O2 — CID 56531234

IUPAC1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H25F5N2O2/c1-19(2,3)11-27(12-20(23,24)25)17(28)13-6-8-26(9-7-13)18(29)15-5-4-14(21)10-16(15)22/h4-5,10,13H,6-9,11-12H2,1-3H3
InChIKeyLSNRAJXZPJIEDO-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.25
Rot. Bonds4

About 1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 56531234) has the molecular formula C20H25F5N2O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID56531234
Molecular FormulaC20H25F5N2O2
Molecular Weight420.42 g/mol
Exact Mass420.18
IUPAC Name1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H25F5N2O2/c1-19(2,3)11-27(12-20(23,24)25)17(28)13-6-8-26(9-7-13)18(29)15-5-4-14(21)10-16(15)22/h4-5,10,13H,6-9,11-12H2,1-3H3
InChIKeyLSNRAJXZPJIEDO-UHFFFAOYSA-N
XLogP4.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide with MolForge

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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
N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 78803343
1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 31839249
1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134062497
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
CID 55593155
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-(2,2-dimethylpropyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56531034
1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 38692821
1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 24595324

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 56531234) is 1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CC(C)(C)CN(CC(F)(F)F)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is LSNRAJXZPJIEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F5N2O2/c1-19(2,3)11-27(12-20(23,24)25)17(28)13-6-8-26(9-7-13)18(29)15-5-4-14(21)10-16(15)22/h4-5,10,13H,6-9,11-12H2,1-3H3.
What are the key properties of 1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.25, 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-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 56531234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).