2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

C25H33N3O3 — CID 42527313

IUPAC2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
SMILESCC(C)(CO)CNC(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-25(2,18-29)17-27-23(30)15-22-24(31)26-13-14-28(22)16-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-22,29H,13-18H2,1-2H3,(H,26,31)(H,27,30)/t22-/m0/s1
InChIKeyOBEWGYRUFXGAQJ-QFIPXVFZSA-N
MW423.56 g/mol
LogP2.14
Rot. Bonds9

About 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide (PubChem CID 42527313) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
PubChem CID42527313
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
SMILESCC(C)(CO)CNC(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-25(2,18-29)17-27-23(30)15-22-24(31)26-13-14-28(22)16-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-22,29H,13-18H2,1-2H3,(H,26,31)(H,27,30)/t22-/m0/s1
InChIKeyOBEWGYRUFXGAQJ-QFIPXVFZSA-N
XLogP2.14
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
CID 56900793
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide
CID 45172029
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95708264
ethyl 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetate
CID 7172640
4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45244864
2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 45214770
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 45192958
N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95727195
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95729853
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 45228911
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide (CID 42527313) is 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide is CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The InChIKey is OBEWGYRUFXGAQJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-25(2,18-29)17-27-23(30)15-22-24(31)26-13-14-28(22)16-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-22,29H,13-18H2,1-2H3,(H,26,31)(H,27,30)/t22-/m0/s1.
What are the key properties of 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide has a molecular weight of 423.56 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 42527313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).