2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide

C15H18ClN3O2 — CID 75503443

IUPAC2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O2/c1-2-7-17-13(20)10-19-9-8-18-15(21)14(19)11-5-3-4-6-12(11)16/h2-6,14H,1,7-10H2,(H,17,20)(H,18,21)
InChIKeyOTRQFKAVXJSKCL-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.12
Rot. Bonds5

About 2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide

2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 75503443) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID75503443
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O2/c1-2-7-17-13(20)10-19-9-8-18-15(21)14(19)11-5-3-4-6-12(11)16/h2-6,14H,1,7-10H2,(H,17,20)(H,18,21)
InChIKeyOTRQFKAVXJSKCL-UHFFFAOYSA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide (CID 75503443) is 2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCNC(=O)C1c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is OTRQFKAVXJSKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-2-7-17-13(20)10-19-9-8-18-15(21)14(19)11-5-3-4-6-12(11)16/h2-6,14H,1,7-10H2,(H,17,20)(H,18,21).
What are the key properties of 2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide?
2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 307.78 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 75503443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).