2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide

C24H31N3O3 — CID 45252843

IUPAC2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCCOc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C24H31N3O3/c1-3-30-22-12-8-7-11-20(22)18-27-16-14-25-24(29)21(27)17-23(28)26(2)15-13-19-9-5-4-6-10-19/h4-12,21H,3,13-18H2,1-2H3,(H,25,29)
InChIKeyVFJJWWSCNVSQNU-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.48
Rot. Bonds9

About 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide

2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 45252843) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID45252843
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCCOc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C24H31N3O3/c1-3-30-22-12-8-7-11-20(22)18-27-16-14-25-24(29)21(27)17-23(28)26(2)15-13-19-9-5-4-6-10-19/h4-12,21H,3,13-18H2,1-2H3,(H,25,29)
InChIKeyVFJJWWSCNVSQNU-UHFFFAOYSA-N
XLogP2.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propylacetamide
CID 95708335
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 42117202
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 42515124
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723540
N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
N-(2-methoxyethyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 56885671
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682
(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 95722194
N-(2-amino-2-oxoethyl)-2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56906729
(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one
CID 95714986
N-butyl-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45230540
N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide (CID 45252843) is 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide is CCOc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)CCc1ccccc1.
What is the InChIKey of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is VFJJWWSCNVSQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-30-22-12-8-7-11-20(22)18-27-16-14-25-24(29)21(27)17-23(28)26(2)15-13-19-9-5-4-6-10-19/h4-12,21H,3,13-18H2,1-2H3,(H,25,29).
What are the key properties of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide?
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 45252843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).