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

C23H24N2O4 — CID 4973993

IUPAC6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one
SMILESCCc1ccc2oc(C(=O)N3CCN(c4ccccc4OC)CC3)cc(=O)c2c1
InChIInChI=1S/C23H24N2O4/c1-3-16-8-9-20-17(14-16)19(26)15-22(29-20)23(27)25-12-10-24(11-13-25)18-6-4-5-7-21(18)28-2/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyNDHJWWHQZBMIEB-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.33
Rot. Bonds4

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

6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one (PubChem CID 4973993) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one
PubChem CID4973993
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one
SMILESCCc1ccc2oc(C(=O)N3CCN(c4ccccc4OC)CC3)cc(=O)c2c1
InChIInChI=1S/C23H24N2O4/c1-3-16-8-9-20-17(14-16)19(26)15-22(29-20)23(27)25-12-10-24(11-13-25)18-6-4-5-7-21(18)28-2/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyNDHJWWHQZBMIEB-UHFFFAOYSA-N
XLogP3.33
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one?
The IUPAC name of 6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one (CID 4973993) is 6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one?
The canonical SMILES for 6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one is CCc1ccc2oc(C(=O)N3CCN(c4ccccc4OC)CC3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one?
The InChIKey is NDHJWWHQZBMIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-16-8-9-20-17(14-16)19(26)15-22(29-20)23(27)25-12-10-24(11-13-25)18-6-4-5-7-21(18)28-2/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of 6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one?
6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one has a molecular weight of 392.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 4973993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).