4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide

C16H20F3N3O2 — CID 138053774

IUPAC4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NC(C)(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C16H20F3N3O2/c1-12(23)21-8-10-22(11-9-21)14(24)20-15(2,16(17,18)19)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,20,24)
InChIKeyBZUSEHXYCNJQSX-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.34
Rot. Bonds2

About 4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide

4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide (PubChem CID 138053774) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide
PubChem CID138053774
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NC(C)(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C16H20F3N3O2/c1-12(23)21-8-10-22(11-9-21)14(24)20-15(2,16(17,18)19)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,20,24)
InChIKeyBZUSEHXYCNJQSX-UHFFFAOYSA-N
XLogP2.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 124885156
2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62487324
N-(1,2-diphenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 67926030
1-(2-chloroethyl)-3-(1,1,1-trifluoro-2-phenylpropan-2-yl)urea
CID 57218547
4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 110364709
N-tert-butyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811839
1-N-(2-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 110676358
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62942680
N-tert-butyl-4-[3-(2-fluorophenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811807
N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide (CID 138053774) is 4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)NC(C)(c2ccccc2)C(F)(F)F)CC1.
What is the InChIKey of 4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide?
The InChIKey is BZUSEHXYCNJQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-12(23)21-8-10-22(11-9-21)14(24)20-15(2,16(17,18)19)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,20,24).
What are the key properties of 4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide?
4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 138053774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).