2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one

C22H22N2O4 — CID 4971068

IUPAC2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(=O)c3cc(C)ccc3o2)CC1
InChIInChI=1S/C22H22N2O4/c1-15-7-8-19-16(13-15)18(25)14-21(28-19)22(26)24-11-9-23(10-12-24)17-5-3-4-6-20(17)27-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyJQIIWSKVAYYGGP-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.07
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one

2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one (PubChem CID 4971068) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one
PubChem CID4971068
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(=O)c3cc(C)ccc3o2)CC1
InChIInChI=1S/C22H22N2O4/c1-15-7-8-19-16(13-15)18(25)14-21(28-19)22(26)24-11-9-23(10-12-24)17-5-3-4-6-20(17)27-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyJQIIWSKVAYYGGP-UHFFFAOYSA-N
XLogP3.07
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one (CID 4971068) is 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one is COc1ccccc1N1CCN(C(=O)c2cc(=O)c3cc(C)ccc3o2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one?
The InChIKey is JQIIWSKVAYYGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-7-8-19-16(13-15)18(25)14-21(28-19)22(26)24-11-9-23(10-12-24)17-5-3-4-6-20(17)27-2/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one?
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one has a molecular weight of 378.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methylchromen-4-one is sourced from PubChem (CID 4971068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).