1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide

C26H29F5N2O2 — CID 145072009

IUPAC1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide
SMILESO=C(NC[C@H](Cc1cccc(F)c1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C26H29F5N2O2/c27-20-7-5-19(6-8-20)24(9-2-10-24)23(34)32-17-22(16-18-3-1-4-21(28)15-18)33-13-11-25(35,12-14-33)26(29,30)31/h1,3-8,15,22,35H,2,9-14,16-17H2,(H,32,34)/t22-/m0/s1
InChIKeyXXQFYZLIGIKFQJ-QFIPXVFZSA-N
MW496.52 g/mol
LogP4.50
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide (PubChem CID 145072009) has the molecular formula C26H29F5N2O2 and a molecular weight of 496.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide
PubChem CID145072009
Molecular FormulaC26H29F5N2O2
Molecular Weight496.52 g/mol
Exact Mass496.21
IUPAC Name1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide
SMILESO=C(NC[C@H](Cc1cccc(F)c1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C26H29F5N2O2/c27-20-7-5-19(6-8-20)24(9-2-10-24)23(34)32-17-22(16-18-3-1-4-21(28)15-18)33-13-11-25(35,12-14-33)26(29,30)31/h1,3-8,15,22,35H,2,9-14,16-17H2,(H,32,34)/t22-/m0/s1
InChIKeyXXQFYZLIGIKFQJ-QFIPXVFZSA-N
XLogP4.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide
CID 162575597
1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
CID 134134923
1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120812569
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 97039368
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888
2-fluoro-N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71784593
N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]furan-2-carboxamide
CID 71784623
1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)cyclopropane-1-carboxamide
CID 111386384
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039441
N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039440
1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide
CID 55748767

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide (CID 145072009) is 1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide is O=C(NC[C@H](Cc1cccc(F)c1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide?
The InChIKey is XXQFYZLIGIKFQJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H29F5N2O2/c27-20-7-5-19(6-8-20)24(9-2-10-24)23(34)32-17-22(16-18-3-1-4-21(28)15-18)33-13-11-25(35,12-14-33)26(29,30)31/h1,3-8,15,22,35H,2,9-14,16-17H2,(H,32,34)/t22-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide has a molecular weight of 496.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 145072009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).