4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one

C22H24N2O3 — CID 4975743

IUPAC4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1
InChIInChI=1S/C22H24N2O3/c1-16-7-8-18-17(14-22(25)27-21(18)13-16)15-23-9-11-24(12-10-23)19-5-3-4-6-20(19)26-2/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyCDQNYXJILKJGGC-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.43
Rot. Bonds4

About 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one

4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one (PubChem CID 4975743) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one
PubChem CID4975743
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1
InChIInChI=1S/C22H24N2O3/c1-16-7-8-18-17(14-22(25)27-21(18)13-16)15-23-9-11-24(12-10-23)19-5-3-4-6-20(19)26-2/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyCDQNYXJILKJGGC-UHFFFAOYSA-N
XLogP3.43
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one?
The IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one (CID 4975743) is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one is COc1ccccc1N1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one?
The InChIKey is CDQNYXJILKJGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-7-8-18-17(14-22(25)27-21(18)13-16)15-23-9-11-24(12-10-23)19-5-3-4-6-20(19)26-2/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one?
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one is sourced from PubChem (CID 4975743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).