N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C14H18F3N3O — CID 2973748

IUPACN,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3N3O/c1-18(2)13(21)20-8-6-19(7-9-20)12-5-3-4-11(10-12)14(15,16)17/h3-5,10H,6-9H2,1-2H3
InChIKeySWXWSXFROIIPCF-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.51
Rot. Bonds1

About N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 2973748) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID2973748
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3N3O/c1-18(2)13(21)20-8-6-19(7-9-20)12-5-3-4-11(10-12)14(15,16)17/h3-5,10H,6-9H2,1-2H3
InChIKeySWXWSXFROIIPCF-UHFFFAOYSA-N
XLogP2.51
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785
(2S)-2-amino-4-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one
CID 118427533
N,N-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2401851
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
3-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 78769873
[4-[dimethylsulfamoyl(methyl)amino]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 92664254
[(2S)-3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-2-yl]urea
CID 51968388
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33220761
1-[4-[1-[3-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 11703667
4-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 5222838
(1-aminocyclopentyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828301

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 2973748) is N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is SWXWSXFROIIPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-18(2)13(21)20-8-6-19(7-9-20)12-5-3-4-11(10-12)14(15,16)17/h3-5,10H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 2973748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).