2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

C18H24F3N3O2 — CID 119066017

IUPAC2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCCCC1C(=O)N(C)CCN1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H24F3N3O2/c1-3-4-8-15-16(25)23(2)9-10-24(15)17(26)22-12-13-6-5-7-14(11-13)18(19,20)21/h5-7,11,15H,3-4,8-10,12H2,1-2H3,(H,22,26)
InChIKeyDWYJAZWUMUHAPT-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.25
Rot. Bonds5

About 2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 119066017) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID119066017
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCCCC1C(=O)N(C)CCN1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H24F3N3O2/c1-3-4-8-15-16(25)23(2)9-10-24(15)17(26)22-12-13-6-5-7-14(11-13)18(19,20)21/h5-7,11,15H,3-4,8-10,12H2,1-2H3,(H,22,26)
InChIKeyDWYJAZWUMUHAPT-UHFFFAOYSA-N
XLogP3.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70757054
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 9467071
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 42062876
1-methyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
CID 29095638
N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide
CID 70382376
(6S,9aS)-N-benzyl-6-butyl-4,7-dioxo-2-prop-2-ynyl-8-[[3-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58889931
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569617
3-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 70741313
2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70767118
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 159159618

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (CID 119066017) is 2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is CCCCC1C(=O)N(C)CCN1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is DWYJAZWUMUHAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-3-4-8-15-16(25)23(2)9-10-24(15)17(26)22-12-13-6-5-7-14(11-13)18(19,20)21/h5-7,11,15H,3-4,8-10,12H2,1-2H3,(H,22,26).
What are the key properties of 2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 119066017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).