4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one

C17H20N2O4 — CID 171713983

IUPAC4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one
SMILESCC(=O)N1CCN(CCOc2cc(=O)oc3ccccc23)CC1
InChIInChI=1S/C17H20N2O4/c1-13(20)19-8-6-18(7-9-19)10-11-22-16-12-17(21)23-15-5-3-2-4-14(15)16/h2-5,12H,6-11H2,1H3
InChIKeyRZEKPXJLOYIHJQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.34
Rot. Bonds4

About 4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one

4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one (PubChem CID 171713983) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one.

Molecular Properties

Compound Name4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one
PubChem CID171713983
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one
SMILESCC(=O)N1CCN(CCOc2cc(=O)oc3ccccc23)CC1
InChIInChI=1S/C17H20N2O4/c1-13(20)19-8-6-18(7-9-19)10-11-22-16-12-17(21)23-15-5-3-2-4-14(15)16/h2-5,12H,6-11H2,1H3
InChIKeyRZEKPXJLOYIHJQ-UHFFFAOYSA-N
XLogP1.34
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Morpholinylcarbonyl)-2H-1-benzopyran-2-one
CID 28914
2-(2-methoxyphenyl)-6-morpholino-4H-pyran-4-one
CID 21106400
N,N-diethyl-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
CID 988851
7-[2-(2-Methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 3936970
3-(4-morpholinyl)-2H-chromen-2-one
CID 899455
2H-1-Benzopyran-2-one, 4-methyl-7-(2-(1-piperidinyl)ethoxy)-
CID 915272
4-Methyl-5,7-bis(2-(4-morpholinyl)ethoxy)-2H-1-benzopyran-2-one
CID 65686
3,4,8-Trimethyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one
CID 888670
8-Allyl-3-(morpholine-4-carbonyl)-chromen-2-one
CID 1108244
(E)-1-morpholin-4-yl-3-(4-propoxyphenyl)prop-2-en-1-one
CID 1569010
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 4421749
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 9110593

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one?
The IUPAC name of 4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one (CID 171713983) is 4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one.
What is the SMILES notation for 4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one?
The canonical SMILES for 4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one is CC(=O)N1CCN(CCOc2cc(=O)oc3ccccc23)CC1.
What is the InChIKey of 4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one?
The InChIKey is RZEKPXJLOYIHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-13(20)19-8-6-18(7-9-19)10-11-22-16-12-17(21)23-15-5-3-2-4-14(15)16/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one?
4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one has a molecular weight of 316.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one is sourced from PubChem (CID 171713983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).