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

C23H30N4O3 — CID 24819352

IUPAC2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCOc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C23H30N4O3/c1-3-30-21-10-5-4-8-18(21)17-27-15-13-25-23(29)20(27)16-22(28)26(2)14-11-19-9-6-7-12-24-19/h4-10,12,20H,3,11,13-17H2,1-2H3,(H,25,29)
InChIKeyWHUYWPIBTXQTOE-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.87
Rot. Bonds9

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

2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 24819352) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID24819352
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCOc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C23H30N4O3/c1-3-30-21-10-5-4-8-18(21)17-27-15-13-25-23(29)20(27)16-22(28)26(2)14-11-19-9-6-7-12-24-19/h4-10,12,20H,3,11,13-17H2,1-2H3,(H,25,29)
InChIKeyWHUYWPIBTXQTOE-UHFFFAOYSA-N
XLogP1.87
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (CID 24819352) is 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is CCOc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)CCc1ccccn1.
What is the InChIKey of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is WHUYWPIBTXQTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-3-30-21-10-5-4-8-18(21)17-27-15-13-25-23(29)20(27)16-22(28)26(2)14-11-19-9-6-7-12-24-19/h4-10,12,20H,3,11,13-17H2,1-2H3,(H,25,29).
What are the key properties of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 24819352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).