7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one

C23H24N2O4 — CID 27840479

IUPAC7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one
SMILESCc1ccccc1CN1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1
InChIInChI=1S/C23H24N2O4/c1-17-4-2-3-5-19(17)15-24-10-12-25(13-11-24)22(26)16-28-20-8-6-18-7-9-23(27)29-21(18)14-20/h2-9,14H,10-13,15-16H2,1H3
InChIKeyHZHVAZKCHODNJH-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.82
Rot. Bonds5

About 7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one

7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one (PubChem CID 27840479) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one
PubChem CID27840479
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one
SMILESCc1ccccc1CN1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1
InChIInChI=1S/C23H24N2O4/c1-17-4-2-3-5-19(17)15-24-10-12-25(13-11-24)22(26)16-28-20-8-6-18-7-9-23(27)29-21(18)14-20/h2-9,14H,10-13,15-16H2,1H3
InChIKeyHZHVAZKCHODNJH-UHFFFAOYSA-N
XLogP2.82
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.82
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

methyl 2-[4-[2-(2-oxochromen-7-yl)oxyacetyl]piperazin-1-yl]acetate
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7-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]chromen-2-one
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7-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethoxy]chromen-2-one
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7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
CID 51289110
2-(4-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 110398838
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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one?
The IUPAC name of 7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one (CID 27840479) is 7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one is Cc1ccccc1CN1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1.
What is the InChIKey of 7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one?
The InChIKey is HZHVAZKCHODNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-17-4-2-3-5-19(17)15-24-10-12-25(13-11-24)22(26)16-28-20-8-6-18-7-9-23(27)29-21(18)14-20/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one?
7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 27840479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).