1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide

C18H23F4N3O — CID 120812569

IUPAC1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H23F4N3O/c19-14-4-1-3-13(11-14)17(5-2-6-17)16(26)24-12-15(18(20,21)22)25-9-7-23-8-10-25/h1,3-4,11,15,23H,2,5-10,12H2,(H,24,26)
InChIKeySRLNHVTTWQUZQY-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.20
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 120812569) has the molecular formula C18H23F4N3O and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
PubChem CID120812569
Molecular FormulaC18H23F4N3O
Molecular Weight373.39 g/mol
Exact Mass373.18
IUPAC Name1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H23F4N3O/c19-14-4-1-3-13(11-14)17(5-2-6-17)16(26)24-12-15(18(20,21)22)25-9-7-23-8-10-25/h1,3-4,11,15,23H,2,5-10,12H2,(H,24,26)
InChIKeySRLNHVTTWQUZQY-UHFFFAOYSA-N
XLogP2.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide
CID 120813691
2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810976
2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811051
2-bromo-5-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810815
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812609
3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 120810745
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120813621
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811198
3-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 120811604
6-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120812339
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide (CID 120812569) is 1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is SRLNHVTTWQUZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F4N3O/c19-14-4-1-3-13(11-14)17(5-2-6-17)16(26)24-12-15(18(20,21)22)25-9-7-23-8-10-25/h1,3-4,11,15,23H,2,5-10,12H2,(H,24,26).
What are the key properties of 1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 120812569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).