4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide

C15H22FN3O — CID 113104260

IUPAC4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCCC(C)N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-3-12(2)18-7-9-19(10-8-18)15(20)17-14-6-4-5-13(16)11-14/h4-6,11-12H,3,7-10H2,1-2H3,(H,17,20)
InChIKeyDCEPCLVSDIHUEA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.77
Rot. Bonds3

About 4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide

4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113104260) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID113104260
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCCC(C)N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-3-12(2)18-7-9-19(10-8-18)15(20)17-14-6-4-5-13(16)11-14/h4-6,11-12H,3,7-10H2,1-2H3,(H,17,20)
InChIKeyDCEPCLVSDIHUEA-UHFFFAOYSA-N
XLogP2.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 63338979
4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 63340900
4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113104196
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
N-[3-(tert-butylcarbamoyl)phenyl]-4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 55820059
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574
(2R)-2-[4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401572

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide (CID 113104260) is 4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide is CCC(C)N1CCN(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is DCEPCLVSDIHUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-12(2)18-7-9-19(10-8-18)15(20)17-14-6-4-5-13(16)11-14/h4-6,11-12H,3,7-10H2,1-2H3,(H,17,20).
What are the key properties of 4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide?
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).