2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide

C24H35N3O4 — CID 25458702

About 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide

2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (PubChem CID 25458702) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
• PubChem CID: 25458702
• Molecular Formula: C24H35N3O4
• Molecular Weight: 429.56 g/mol
• Exact Mass: 429.26
• IUPAC Name: 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
• SMILES: COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCC1CCOCC1
• InChI: InChI=1S/C24H35N3O4/c1-26(14-9-19-10-16-31-17-11-19)23(28)18-21-24(29)25-12-15-27(21)13-5-7-20-6-3-4-8-22(20)30-2/h3-8,19,21H,9-18H2,1-2H3,(H,25,29)/b7-5+/t21-/m0/s1
• InChIKey: GVMVPWYQUNWIDA-XYASWCNUSA-N
• XLogP: 2.17
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.56
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?

The IUPAC name of 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (CID 25458702) is 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.

What is the SMILES notation for 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?

The canonical SMILES for 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCC1CCOCC1.

What is the InChIKey of 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?

The InChIKey is GVMVPWYQUNWIDA-XYASWCNUSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-26(14-9-19-10-16-31-17-11-19)23(28)18-21-24(29)25-12-15-27(21)13-5-7-20-6-3-4-8-22(20)30-2/h3-8,19,21H,9-18H2,1-2H3,(H,25,29)/b7-5+/t21-/m0/s1.

What are the key properties of 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?

2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide has a molecular weight of 429.56 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is sourced from PubChem (CID 25458702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).