4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide

C15H20FN3O2 — CID 34666180

IUPAC4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)N[C@H](C)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O2/c1-11(13-3-5-14(16)6-4-13)17-15(21)19-9-7-18(8-10-19)12(2)20/h3-6,11H,7-10H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyHTXWUAITAUTYJJ-LLVKDONJSA-N
MW293.34 g/mol
LogP1.76
Rot. Bonds2

About 4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide

4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 34666180) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID34666180
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)N[C@H](C)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O2/c1-11(13-3-5-14(16)6-4-13)17-15(21)19-9-7-18(8-10-19)12(2)20/h3-6,11H,7-10H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyHTXWUAITAUTYJJ-LLVKDONJSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide (CID 34666180) is 4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)N[C@H](C)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is HTXWUAITAUTYJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-11(13-3-5-14(16)6-4-13)17-15(21)19-9-7-18(8-10-19)12(2)20/h3-6,11H,7-10H2,1-2H3,(H,17,21)/t11-/m1/s1.
What are the key properties of 4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 34666180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).