2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide

C17H22F3N3O2 — CID 95726046

IUPAC2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3N3O2/c1-11(2)22-15(24)9-14-16(25)21-6-7-23(14)10-12-4-3-5-13(8-12)17(18,19)20/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,21,25)(H,22,24)/t14-/m1/s1
InChIKeyYRIJBLIEPWZBLL-CQSZACIVSA-N
MW357.38 g/mol
LogP1.92
Rot. Bonds5

About 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide

2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 95726046) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide
PubChem CID95726046
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3N3O2/c1-11(2)22-15(24)9-14-16(25)21-6-7-23(14)10-12-4-3-5-13(8-12)17(18,19)20/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,21,25)(H,22,24)/t14-/m1/s1
InChIKeyYRIJBLIEPWZBLL-CQSZACIVSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56888571
N-(3-hydroxypropyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95715738
N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95724971
(3S)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 95725542
2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
CID 45211424
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide
CID 46970496
N-ethyl-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 45221000
2-[3-oxo-1-[(3-propan-2-yloxyphenyl)methyl]piperazin-2-yl]acetohydrazide
CID 54847941
2-[1-[[3-(difluoromethyl)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 115529673
2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 119070408
2-[1-[[3-(3-methylbutoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetohydrazide
CID 54847910
N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95723548

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide (CID 95726046) is 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is YRIJBLIEPWZBLL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-11(2)22-15(24)9-14-16(25)21-6-7-23(14)10-12-4-3-5-13(8-12)17(18,19)20/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,21,25)(H,22,24)/t14-/m1/s1.
What are the key properties of 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide?
2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 357.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95726046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).