N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide

C31H32F3N3O2 — CID 174630033

IUPACN-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide
SMILES[H]/N=C(\Cc1cccc(C(F)(F)F)c1)C[C@@H](C)NC(=O)CN1CCCC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C31H32F3N3O2/c1-22(18-27(35)20-23-10-8-15-26(19-23)31(32,33)34)36-28(38)21-37-17-9-16-30(29(37)39,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-8,10-15,19,22,35H,9,16-18,20-21H2,1H3,(H,36,38)/b35-27-/t22-/m1/s1
InChIKeySXHNUJIWWYXWDH-KPSNJVHISA-N
MW535.61 g/mol
LogP5.77
Rot. Bonds9

About N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide

N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide (PubChem CID 174630033) has the molecular formula C31H32F3N3O2 and a molecular weight of 535.61 g/mol. Its IUPAC name is N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide
PubChem CID174630033
Molecular FormulaC31H32F3N3O2
Molecular Weight535.61 g/mol
Exact Mass535.24
IUPAC NameN-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide
SMILES[H]/N=C(\Cc1cccc(C(F)(F)F)c1)C[C@@H](C)NC(=O)CN1CCCC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C31H32F3N3O2/c1-22(18-27(35)20-23-10-8-15-26(19-23)31(32,33)34)36-28(38)21-37-17-9-16-30(29(37)39,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-8,10-15,19,22,35H,9,16-18,20-21H2,1H3,(H,36,38)/b35-27-/t22-/m1/s1
InChIKeySXHNUJIWWYXWDH-KPSNJVHISA-N
XLogP5.77
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one
CID 67357691
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
1-[2-oxo-2-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,3-diphenylpiperidin-2-one
CID 57396818
2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 67357202
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one
CID 67359428
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
methyl (2S)-3-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 8010923
2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 45274819
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 60761684

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide (CID 174630033) is N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide is [H]/N=C(\Cc1cccc(C(F)(F)F)c1)C[C@@H](C)NC(=O)CN1CCCC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide?
The InChIKey is SXHNUJIWWYXWDH-KPSNJVHISA-N. The full InChI is InChI=1S/C31H32F3N3O2/c1-22(18-27(35)20-23-10-8-15-26(19-23)31(32,33)34)36-28(38)21-37-17-9-16-30(29(37)39,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-8,10-15,19,22,35H,9,16-18,20-21H2,1H3,(H,36,38)/b35-27-/t22-/m1/s1.
What are the key properties of N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide?
N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide has a molecular weight of 535.61 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 174630033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).