4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

C17H23F3N4O2 — CID 119059167

IUPAC4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)CN1CCN(C(=O)NCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N4O2/c1-22(2)15(25)12-23-7-9-24(10-8-23)16(26)21-11-13-5-3-4-6-14(13)17(18,19)20/h3-6H,7-12H2,1-2H3,(H,21,26)
InChIKeyKDPPQDVCQQTKBX-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.62
Rot. Bonds4

About 4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 119059167) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID119059167
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)CN1CCN(C(=O)NCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N4O2/c1-22(2)15(25)12-23-7-9-24(10-8-23)16(26)21-11-13-5-3-4-6-14(13)17(18,19)20/h3-6H,7-12H2,1-2H3,(H,21,26)
InChIKeyKDPPQDVCQQTKBX-UHFFFAOYSA-N
XLogP1.62
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 119064362
N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 3849424
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide
CID 55457980
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 99788111
1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 119064849
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (CID 119059167) is 4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is CN(C)C(=O)CN1CCN(C(=O)NCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is KDPPQDVCQQTKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-22(2)15(25)12-23-7-9-24(10-8-23)16(26)21-11-13-5-3-4-6-14(13)17(18,19)20/h3-6H,7-12H2,1-2H3,(H,21,26).
What are the key properties of 4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 119059167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).