N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide

C36H37N3O2 — CID 25206564

IUPACN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
SMILESO=C(NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C36H37N3O2/c40-35(34(29-16-8-3-9-17-29)39-26-30-18-10-11-19-33(30)36(39)41)37-31-20-23-38(24-21-31)25-22-32(27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-19,31-32,34H,20-26H2,(H,37,40)
InChIKeyUSGUHOAXXDTJKR-UHFFFAOYSA-N
MW543.71 g/mol
LogP6.19
Rot. Bonds9

About N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide

N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide (PubChem CID 25206564) has the molecular formula C36H37N3O2 and a molecular weight of 543.71 g/mol. Its IUPAC name is N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
PubChem CID25206564
Molecular FormulaC36H37N3O2
Molecular Weight543.71 g/mol
Exact Mass543.29
IUPAC NameN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
SMILESO=C(NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C36H37N3O2/c40-35(34(29-16-8-3-9-17-29)39-26-30-18-10-11-19-33(30)36(39)41)37-31-20-23-38(24-21-31)25-22-32(27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-19,31-32,34H,20-26H2,(H,37,40)
InChIKeyUSGUHOAXXDTJKR-UHFFFAOYSA-N
XLogP6.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 20905548
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 91638506
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 25205927
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide
CID 91051221
(2R)-N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 92688478
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate
CID 92688363
1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide
CID 124647529
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
N-[2-(4-benzylpiperidin-1-yl)ethyl]-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 20905878
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The IUPAC name of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide (CID 25206564) is N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide is O=C(NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The InChIKey is USGUHOAXXDTJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O2/c40-35(34(29-16-8-3-9-17-29)39-26-30-18-10-11-19-33(30)36(39)41)37-31-20-23-38(24-21-31)25-22-32(27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-19,31-32,34H,20-26H2,(H,37,40).
What are the key properties of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide has a molecular weight of 543.71 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 25206564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).