2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide

C23H36N4O4 — CID 45216925

IUPAC2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCCN(CCN1CCCC1)C(=O)CC1C(=O)NCCN1Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C23H36N4O4/c1-4-26(12-11-25-8-5-6-9-25)22(28)16-21-23(29)24-7-10-27(21)17-18-13-19(30-2)15-20(14-18)31-3/h13-15,21H,4-12,16-17H2,1-3H3,(H,24,29)
InChIKeyXZBRGIRUQYHTAH-UHFFFAOYSA-N
MW432.57 g/mol
LogP1.34
Rot. Bonds10

About 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 45216925) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID45216925
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Name2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCCN(CCN1CCCC1)C(=O)CC1C(=O)NCCN1Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C23H36N4O4/c1-4-26(12-11-25-8-5-6-9-25)22(28)16-21-23(29)24-7-10-27(21)17-18-13-19(30-2)15-20(14-18)31-3/h13-15,21H,4-12,16-17H2,1-3H3,(H,24,29)
InChIKeyXZBRGIRUQYHTAH-UHFFFAOYSA-N
XLogP1.34
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45231630
propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 7248067
N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95727326
(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one
CID 25365013
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 25292413
N-cyclohexyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24793235
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 42527548
methyl 1-[2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 25310065
methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 45221729
N-ethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 45181613
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 45216925) is 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide is CCN(CCN1CCCC1)C(=O)CC1C(=O)NCCN1Cc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is XZBRGIRUQYHTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-4-26(12-11-25-8-5-6-9-25)22(28)16-21-23(29)24-7-10-27(21)17-18-13-19(30-2)15-20(14-18)31-3/h13-15,21H,4-12,16-17H2,1-3H3,(H,24,29).
What are the key properties of 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 432.57 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 45216925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).