2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide

C22H27N3O2 — CID 56900793

IUPAC2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
SMILESCCNC(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-2-23-21(26)15-20-22(27)24-13-14-25(20)16-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyOVCBFVUOMONCHU-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.15
Rot. Bonds7

About 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide

2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide (PubChem CID 56900793) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
PubChem CID56900793
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
SMILESCCNC(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-2-23-21(26)15-20-22(27)24-13-14-25(20)16-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyOVCBFVUOMONCHU-UHFFFAOYSA-N
XLogP2.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 42527313
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
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
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
N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 26398297
2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 26395842
N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 95716450

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide?
The IUPAC name of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide (CID 56900793) is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide?
The canonical SMILES for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide is CCNC(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide?
The InChIKey is OVCBFVUOMONCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-23-21(26)15-20-22(27)24-13-14-25(20)16-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide?
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide has a molecular weight of 365.48 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide is sourced from PubChem (CID 56900793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).