N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide

C25H31F3N2O2 — CID 134141534

IUPACN-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C25H31F3N2O2/c1-23(2,20-11-7-4-8-12-20)22(31)29-18-21(17-19-9-5-3-6-10-19)30-15-13-24(32,14-16-30)25(26,27)28/h3-12,21,32H,13-18H2,1-2H3,(H,29,31)
InChIKeyIPESIZNXIXXPJK-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.08
Rot. Bonds7

About N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide

N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide (PubChem CID 134141534) has the molecular formula C25H31F3N2O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide
PubChem CID134141534
Molecular FormulaC25H31F3N2O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC NameN-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C25H31F3N2O2/c1-23(2,20-11-7-4-8-12-20)22(31)29-18-21(17-19-9-5-3-6-10-19)30-15-13-24(32,14-16-30)25(26,27)28/h3-12,21,32H,13-18H2,1-2H3,(H,29,31)
InChIKeyIPESIZNXIXXPJK-UHFFFAOYSA-N
XLogP4.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.08
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
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
(4R,5R)-5-amino-1-(2-phenylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203033
(4R,5R)-5-amino-1-(3-phenylpropyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204464
(4R,5R)-5-amino-1-[(2S)-2-phenylpropyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204465
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3,3-diphenylpropyl)piperidine-2-carboxamide
CID 10138683
N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-3-phenylprop-2-ynamide
CID 50902621
N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-3-phenylprop-2-ynamide
CID 68183060
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
(R)-3-Amino-1-[(R)-2-(4-fluoro-benzyl)-piperazin-1-yl]-4-(2-fluoro-phenyl)-butan-1-one
CID 9947730
N-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-2,2-bis-(4-fluoro-phenyl)-acetamide
CID 10092397

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide (CID 134141534) is N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide?
The InChIKey is IPESIZNXIXXPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O2/c1-23(2,20-11-7-4-8-12-20)22(31)29-18-21(17-19-9-5-3-6-10-19)30-15-13-24(32,14-16-30)25(26,27)28/h3-12,21,32H,13-18H2,1-2H3,(H,29,31).
What are the key properties of N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide?
N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide has a molecular weight of 448.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 134141534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).