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

C27H32F4N2O2 — CID 162575597

IUPACN-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(C2(C(=O)NC[C@@H](Cc3cccc(F)c3)N3CCC(O)(C(F)(F)F)CC3)CCC2)cc1
InChIInChI=1S/C27H32F4N2O2/c1-19-6-8-21(9-7-19)25(10-3-11-25)24(34)32-18-23(17-20-4-2-5-22(28)16-20)33-14-12-26(35,13-15-33)27(29,30)31/h2,4-9,16,23,35H,3,10-15,17-18H2,1H3,(H,32,34)/t23-/m1/s1
InChIKeyDXEFJNYFHMJDSY-HSZRJFAPSA-N
MW492.56 g/mol
LogP4.67
Rot. Bonds7

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

N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 162575597) has the molecular formula C27H32F4N2O2 and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide
PubChem CID162575597
Molecular FormulaC27H32F4N2O2
Molecular Weight492.56 g/mol
Exact Mass492.24
IUPAC NameN-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(C2(C(=O)NC[C@@H](Cc3cccc(F)c3)N3CCC(O)(C(F)(F)F)CC3)CCC2)cc1
InChIInChI=1S/C27H32F4N2O2/c1-19-6-8-21(9-7-19)25(10-3-11-25)24(34)32-18-23(17-20-4-2-5-22(28)16-20)33-14-12-26(35,13-15-33)27(29,30)31/h2,4-9,16,23,35H,3,10-15,17-18H2,1H3,(H,32,34)/t23-/m1/s1
InChIKeyDXEFJNYFHMJDSY-HSZRJFAPSA-N
XLogP4.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide
CID 145072009
1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
CID 134134923
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 97039368
1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120812569
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-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97039442
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
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-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 134057340

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide (CID 162575597) is N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide is Cc1ccc(C2(C(=O)NC[C@@H](Cc3cccc(F)c3)N3CCC(O)(C(F)(F)F)CC3)CCC2)cc1.
What is the InChIKey of N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is DXEFJNYFHMJDSY-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H32F4N2O2/c1-19-6-8-21(9-7-19)25(10-3-11-25)24(34)32-18-23(17-20-4-2-5-22(28)16-20)33-14-12-26(35,13-15-33)27(29,30)31/h2,4-9,16,23,35H,3,10-15,17-18H2,1H3,(H,32,34)/t23-/m1/s1.
What are the key properties of N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide?
N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 162575597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).