2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one

C23H24N2O4 — CID 4900750

IUPAC2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one
SMILESCOc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(C)c(C)cc4o3)CC2)cc1
InChIInChI=1S/C23H24N2O4/c1-15-12-19-20(26)14-22(29-21(19)13-16(15)2)23(27)25-10-8-24(9-11-25)17-4-6-18(28-3)7-5-17/h4-7,12-14H,8-11H2,1-3H3
InChIKeyDNYZWNGLRFDTNF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.38
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one

2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one (PubChem CID 4900750) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one
PubChem CID4900750
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one
SMILESCOc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(C)c(C)cc4o3)CC2)cc1
InChIInChI=1S/C23H24N2O4/c1-15-12-19-20(26)14-22(29-21(19)13-16(15)2)23(27)25-10-8-24(9-11-25)17-4-6-18(28-3)7-5-17/h4-7,12-14H,8-11H2,1-3H3
InChIKeyDNYZWNGLRFDTNF-UHFFFAOYSA-N
XLogP3.38
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one (CID 4900750) is 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one is COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(C)c(C)cc4o3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one?
The InChIKey is DNYZWNGLRFDTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-12-19-20(26)14-22(29-21(19)13-16(15)2)23(27)25-10-8-24(9-11-25)17-4-6-18(28-3)7-5-17/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one?
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one has a molecular weight of 392.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-6,7-dimethylchromen-4-one is sourced from PubChem (CID 4900750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).