7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one

C19H23N3O4 — CID 120994735

IUPAC7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C19H23N3O4/c23-18(22-8-5-15(12-22)21-9-6-20-7-10-21)13-25-16-3-1-14-2-4-19(24)26-17(14)11-16/h1-4,11,15,20H,5-10,12-13H2
InChIKeyYUPAHBLTQGAAHX-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.68
Rot. Bonds4

About 7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one

7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one (PubChem CID 120994735) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one
PubChem CID120994735
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C19H23N3O4/c23-18(22-8-5-15(12-22)21-9-6-20-7-10-21)13-25-16-3-1-14-2-4-19(24)26-17(14)11-16/h1-4,11,15,20H,5-10,12-13H2
InChIKeyYUPAHBLTQGAAHX-UHFFFAOYSA-N
XLogP0.68
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one;hydrochloride
CID 119412010
7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one
CID 134020445
2-(4-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997837
7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 171907125
7-[2-oxo-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethoxy]chromen-2-one
CID 171909704
2-(3-methyl-4-propan-2-ylphenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997821
7-[2-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 171387457
7-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]chromen-2-one
CID 78769592
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724
7-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]chromen-2-one
CID 8882275
7-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 55866745
7-[2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 171386925

Frequently Asked Questions

What is the IUPAC name of 7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one?
The IUPAC name of 7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one (CID 120994735) is 7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one?
The canonical SMILES for 7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one is O=C(COc1ccc2ccc(=O)oc2c1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of 7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one?
The InChIKey is YUPAHBLTQGAAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-18(22-8-5-15(12-22)21-9-6-20-7-10-21)13-25-16-3-1-14-2-4-19(24)26-17(14)11-16/h1-4,11,15,20H,5-10,12-13H2.
What are the key properties of 7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one?
7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one has a molecular weight of 357.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one is sourced from PubChem (CID 120994735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).