2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C16H21F4N3O — CID 99784351

IUPAC2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H]1CN(Cc2ccc(F)cc2)CCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C16H21F4N3O/c1-12-8-22(9-13-2-4-14(17)5-3-13)6-7-23(12)10-15(24)21-11-16(18,19)20/h2-5,12H,6-11H2,1H3,(H,21,24)/t12-/m1/s1
InChIKeyFVLRPDOXCOEUEE-GFCCVEGCSA-N
MW347.36 g/mol
LogP2.01
Rot. Bonds5

About 2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 99784351) has the molecular formula C16H21F4N3O and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID99784351
Molecular FormulaC16H21F4N3O
Molecular Weight347.36 g/mol
Exact Mass347.16
IUPAC Name2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H]1CN(Cc2ccc(F)cc2)CCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C16H21F4N3O/c1-12-8-22(9-13-2-4-14(17)5-3-13)6-7-23(12)10-15(24)21-11-16(18,19)20/h2-5,12H,6-11H2,1H3,(H,21,24)/t12-/m1/s1
InChIKeyFVLRPDOXCOEUEE-GFCCVEGCSA-N
XLogP2.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9300372
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9130348
5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide
CID 100634527
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]benzoic acid
CID 63609405
4-[[3-methyl-4-[2-oxo-2-(4-phenoxyanilino)ethyl]piperazin-1-yl]methyl]benzoic acid
CID 69399999
2-(4-chloroanilino)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 22264535
[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol
CID 75517917
4-[[(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118374041
(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95297188
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770
N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
CID 99784942

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 99784351) is 2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is C[C@@H]1CN(Cc2ccc(F)cc2)CCN1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FVLRPDOXCOEUEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21F4N3O/c1-12-8-22(9-13-2-4-14(17)5-3-13)6-7-23(12)10-15(24)21-11-16(18,19)20/h2-5,12H,6-11H2,1H3,(H,21,24)/t12-/m1/s1.
What are the key properties of 2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 347.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 99784351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).