N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide

C14H19N3O3 — CID 2956602

IUPACN-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCCOc1ccccc1NC(=O)CC1NCCNC1=O
InChIInChI=1S/C14H19N3O3/c1-2-20-12-6-4-3-5-10(12)17-13(18)9-11-14(19)16-8-7-15-11/h3-6,11,15H,2,7-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyFEAVQOFMKJXHBZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.50
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide

N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 2956602) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID2956602
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCCOc1ccccc1NC(=O)CC1NCCNC1=O
InChIInChI=1S/C14H19N3O3/c1-2-20-12-6-4-3-5-10(12)17-13(18)9-11-14(19)16-8-7-15-11/h3-6,11,15H,2,7-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyFEAVQOFMKJXHBZ-UHFFFAOYSA-N
XLogP0.50
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide (CID 2956602) is N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide is CCOc1ccccc1NC(=O)CC1NCCNC1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is FEAVQOFMKJXHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-20-12-6-4-3-5-10(12)17-13(18)9-11-14(19)16-8-7-15-11/h3-6,11,15H,2,7-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 2956602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).