7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one

C20H24N2O4 — CID 134020445

IUPAC7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H24N2O4/c23-19(22-11-9-21(10-12-22)16-3-1-2-4-16)14-25-17-7-5-15-6-8-20(24)26-18(15)13-17/h5-8,13,16H,1-4,9-12,14H2
InChIKeyPOJGXFOQSNLXBZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.26
Rot. Bonds4

About 7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one

7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one (PubChem CID 134020445) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one
PubChem CID134020445
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H24N2O4/c23-19(22-11-9-21(10-12-22)16-3-1-2-4-16)14-25-17-7-5-15-6-8-20(24)26-18(15)13-17/h5-8,13,16H,1-4,9-12,14H2
InChIKeyPOJGXFOQSNLXBZ-UHFFFAOYSA-N
XLogP2.26
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.26
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

7-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]chromen-2-one
CID 78769592
7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one
CID 120994735
7-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]chromen-2-one
CID 8882275
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
7-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one;hydrochloride
CID 119412010
7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 171907125
methyl 2-[4-[2-(2-oxochromen-7-yl)oxyacetyl]piperazin-1-yl]acetate
CID 171911145
7-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethoxy]chromen-2-one
CID 171387315
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442
7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one
CID 27840479
7-[2-oxo-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethoxy]chromen-2-one
CID 171909704
1-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878195

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one?
The IUPAC name of 7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one (CID 134020445) is 7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one is O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one?
The InChIKey is POJGXFOQSNLXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-19(22-11-9-21(10-12-22)16-3-1-2-4-16)14-25-17-7-5-15-6-8-20(24)26-18(15)13-17/h5-8,13,16H,1-4,9-12,14H2.
What are the key properties of 7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one?
7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one has a molecular weight of 356.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 134020445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).