1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide

C20H30FN3O — CID 110437610

IUPAC1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
SMILESCN1CCN(CCCCNC(=O)C2(c3ccccc3F)CCC2)CC1
InChIInChI=1S/C20H30FN3O/c1-23-13-15-24(16-14-23)12-5-4-11-22-19(25)20(9-6-10-20)17-7-2-3-8-18(17)21/h2-3,7-8H,4-6,9-16H2,1H3,(H,22,25)
InChIKeyHUSGFJPMBLSBAE-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.39
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide

1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide (PubChem CID 110437610) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
PubChem CID110437610
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
SMILESCN1CCN(CCCCNC(=O)C2(c3ccccc3F)CCC2)CC1
InChIInChI=1S/C20H30FN3O/c1-23-13-15-24(16-14-23)12-5-4-11-22-19(25)20(9-6-10-20)17-7-2-3-8-18(17)21/h2-3,7-8H,4-6,9-16H2,1H3,(H,22,25)
InChIKeyHUSGFJPMBLSBAE-UHFFFAOYSA-N
XLogP2.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide
CID 110436859
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 16673287
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110408174
1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 110438277
1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 110438466
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide (CID 110437610) is 1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide is CN1CCN(CCCCNC(=O)C2(c3ccccc3F)CCC2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide?
The InChIKey is HUSGFJPMBLSBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-23-13-15-24(16-14-23)12-5-4-11-22-19(25)20(9-6-10-20)17-7-2-3-8-18(17)21/h2-3,7-8H,4-6,9-16H2,1H3,(H,22,25).
What are the key properties of 1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide?
1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 110437610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).