1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide

C18H25FN2O — CID 119555237

IUPAC1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
SMILESO=C(NCCC1CCCNC1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H25FN2O/c19-16-6-1-5-15(12-16)18(8-3-9-18)17(22)21-11-7-14-4-2-10-20-13-14/h1,5-6,12,14,20H,2-4,7-11,13H2,(H,21,22)
InChIKeyWUGBOYMSDJEVPM-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.75
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide (PubChem CID 119555237) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
PubChem CID119555237
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
SMILESO=C(NCCC1CCCNC1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H25FN2O/c19-16-6-1-5-15(12-16)18(8-3-9-18)17(22)21-11-7-14-4-2-10-20-13-14/h1,5-6,12,14,20H,2-4,7-11,13H2,(H,21,22)
InChIKeyWUGBOYMSDJEVPM-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119534325
1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119558765
1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119558146
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119556453
1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556531
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride
CID 120943827
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 119537652
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119534101

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide (CID 119555237) is 1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide is O=C(NCCC1CCCNC1)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is WUGBOYMSDJEVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-6-1-5-15(12-16)18(8-3-9-18)17(22)21-11-7-14-4-2-10-20-13-14/h1,5-6,12,14,20H,2-4,7-11,13H2,(H,21,22).
What are the key properties of 1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 119555237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).