2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide

C25H27N3O3 — CID 95708264

IUPAC2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccco1
InChIInChI=1S/C25H27N3O3/c29-24(27-17-21-12-7-15-31-21)16-23-25(30)26-13-14-28(23)18-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,15,22-23H,13-14,16-18H2,(H,26,30)(H,27,29)/t23-/m1/s1
InChIKeyNZZULMHKIATMKJ-HSZRJFAPSA-N
MW417.51 g/mol
LogP2.92
Rot. Bonds8

About 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide

2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 95708264) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID95708264
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccco1
InChIInChI=1S/C25H27N3O3/c29-24(27-17-21-12-7-15-31-21)16-23-25(30)26-13-14-28(23)18-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,15,22-23H,13-14,16-18H2,(H,26,30)(H,27,29)/t23-/m1/s1
InChIKeyNZZULMHKIATMKJ-HSZRJFAPSA-N
XLogP2.92
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
CID 56900793
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 39350148
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide
CID 45172029
2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 42527313
2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95718709
4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45244864
ethyl 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetate
CID 7172640
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
CID 95903262
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 45228911

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 95708264) is 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide is O=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccco1.
What is the InChIKey of 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NZZULMHKIATMKJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-24(27-17-21-12-7-15-31-21)16-23-25(30)26-13-14-28(23)18-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,15,22-23H,13-14,16-18H2,(H,26,30)(H,27,29)/t23-/m1/s1.
What are the key properties of 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 95708264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).