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

C15H23FN4O — CID 63338979

IUPAC4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCCC(CN)N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN4O/c1-2-14(11-17)19-6-8-20(9-7-19)15(21)18-13-5-3-4-12(16)10-13/h3-5,10,14H,2,6-9,11,17H2,1H3,(H,18,21)
InChIKeyGUPDRKMVBZIABH-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.71
Rot. Bonds4

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

4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 63338979) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID63338979
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCCC(CN)N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN4O/c1-2-14(11-17)19-6-8-20(9-7-19)15(21)18-13-5-3-4-12(16)10-13/h3-5,10,14H,2,6-9,11,17H2,1H3,(H,18,21)
InChIKeyGUPDRKMVBZIABH-UHFFFAOYSA-N
XLogP1.71
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 63340900
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-(4-fluorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519710
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615
N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide
CID 23071817
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
CID 119857266
4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221443
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine
CID 63340356

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide (CID 63338979) is 4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide is CCC(CN)N1CCN(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is GUPDRKMVBZIABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-2-14(11-17)19-6-8-20(9-7-19)15(21)18-13-5-3-4-12(16)10-13/h3-5,10,14H,2,6-9,11,17H2,1H3,(H,18,21).
What are the key properties of 4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 63338979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).