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

C14H16F3N3O2 — CID 2116191

IUPAC4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16F3N3O2/c1-10(21)19-5-7-20(8-6-19)13(22)18-12-4-2-3-11(9-12)14(15,16)17/h2-4,9H,5-8H2,1H3,(H,18,22)
InChIKeyNWEGNXROZZCFRN-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.40
Rot. Bonds1

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

4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 2116191) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID2116191
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16F3N3O2/c1-10(21)19-5-7-20(8-6-19)13(22)18-12-4-2-3-11(9-12)14(15,16)17/h2-4,9H,5-8H2,1H3,(H,18,22)
InChIKeyNWEGNXROZZCFRN-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 2116191) is 4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is NWEGNXROZZCFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-10(21)19-5-7-20(8-6-19)13(22)18-12-4-2-3-11(9-12)14(15,16)17/h2-4,9H,5-8H2,1H3,(H,18,22).
What are the key properties of 4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 2116191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).