1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide

C28H34F4N2O2 — CID 134157451

IUPAC1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide
SMILESO=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C28H34F4N2O2/c29-23-11-9-22(10-12-23)26(13-5-2-6-14-26)25(35)33-20-24(19-21-7-3-1-4-8-21)34-17-15-27(36,16-18-34)28(30,31)32/h1,3-4,7-12,24,36H,2,5-6,13-20H2,(H,33,35)
InChIKeyGMWFVFPCPWVMFQ-UHFFFAOYSA-N
MW506.58 g/mol
LogP5.14
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide

1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide (PubChem CID 134157451) has the molecular formula C28H34F4N2O2 and a molecular weight of 506.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide
PubChem CID134157451
Molecular FormulaC28H34F4N2O2
Molecular Weight506.58 g/mol
Exact Mass506.26
IUPAC Name1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide
SMILESO=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C28H34F4N2O2/c29-23-11-9-22(10-12-23)26(13-5-2-6-14-26)25(35)33-20-24(19-21-7-3-1-4-8-21)34-17-15-27(36,16-18-34)28(30,31)32/h1,3-4,7-12,24,36H,2,5-6,13-20H2,(H,33,35)
InChIKeyGMWFVFPCPWVMFQ-UHFFFAOYSA-N
XLogP5.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.58
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(2-(4-hydroxy-4-(trifluoromethyl)piperidin-1-yl)-3-phenylpropyl)cyclopentane-1-carboxamide
CID 121304823
4-(4-Fluoro-phenyl)-8-[2-(4-trifluoromethyl-phenyl)-cyclohexyl]-2,8-diaza-spiro[4.5]decan-1-one
CID 11363500
2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide
CID 44358520
1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide
CID 121304861
1-(4-chlorophenyl)-N-[(2R)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopentane-1-carboxamide
CID 121304827
2-[3,5-bis(trifluoromethyl)phenyl]-N-[3,3-diphenyl-2-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide
CID 44358649
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide
CID 44768892
N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide
CID 56668678
2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1S)-2-[2-(4-methylpiperazin-1-yl)ethylamino]-2-oxo-1-phenylethyl]propanamide
CID 73212440
1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
CID 134134923
N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide
CID 134141534
1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide
CID 121313649

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide (CID 134157451) is 1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide is O=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide?
The InChIKey is GMWFVFPCPWVMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F4N2O2/c29-23-11-9-22(10-12-23)26(13-5-2-6-14-26)25(35)33-20-24(19-21-7-3-1-4-8-21)34-17-15-27(36,16-18-34)28(30,31)32/h1,3-4,7-12,24,36H,2,5-6,13-20H2,(H,33,35).
What are the key properties of 1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide?
1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide has a molecular weight of 506.58 g/mol, XLogP of 5.14, 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-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 134157451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).