4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide

C15H20FN3O2 — CID 108895046

IUPAC4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
SMILESCC(=O)CCNC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O2/c1-12(20)6-7-17-15(21)19-10-8-18(9-11-19)14-4-2-13(16)3-5-14/h2-5H,6-11H2,1H3,(H,17,21)
InChIKeyWYEIROMQYLWWKB-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.64
Rot. Bonds4

About 4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide

4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide (PubChem CID 108895046) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
PubChem CID108895046
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
SMILESCC(=O)CCNC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O2/c1-12(20)6-7-17-15(21)19-10-8-18(9-11-19)14-4-2-13(16)3-5-14/h2-5H,6-11H2,1H3,(H,17,21)
InChIKeyWYEIROMQYLWWKB-UHFFFAOYSA-N
XLogP1.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 56762711
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53369031
4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109182
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 112972051
N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514164
N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108914650
4-(4-fluorophenyl)-N-[(2,3,6-trimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108880184
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide (CID 108895046) is 4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide is CC(=O)CCNC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide?
The InChIKey is WYEIROMQYLWWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-12(20)6-7-17-15(21)19-10-8-18(9-11-19)14-4-2-13(16)3-5-14/h2-5H,6-11H2,1H3,(H,17,21).
What are the key properties of 4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide is sourced from PubChem (CID 108895046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).