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

C23H24N2O4 — CID 4870327

IUPAC6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one
SMILESCCc1ccc2oc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(=O)c2c1
InChIInChI=1S/C23H24N2O4/c1-3-16-4-9-21-19(14-16)20(26)15-22(29-21)23(27)25-12-10-24(11-13-25)17-5-7-18(28-2)8-6-17/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyQKKWDLVDTQMTCT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.33
Rot. Bonds4

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

6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one (PubChem CID 4870327) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one
PubChem CID4870327
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one
SMILESCCc1ccc2oc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(=O)c2c1
InChIInChI=1S/C23H24N2O4/c1-3-16-4-9-21-19(14-16)20(26)15-22(29-21)23(27)25-12-10-24(11-13-25)17-5-7-18(28-2)8-6-17/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyQKKWDLVDTQMTCT-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

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55917664
2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
CID 90517016
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one
CID 9081959
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(piperidin-1-ylmethyl)furan-2-yl]methanone
CID 35333195
[4-(4-methoxyphenyl)piperazin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 48981638
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9077758
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110693625
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35181036
7-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methoxy]-4-methylchromen-2-one
CID 2530045
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55334172
2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 18545089

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one?
The IUPAC name of 6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one (CID 4870327) is 6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one?
The canonical SMILES for 6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one is CCc1ccc2oc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one?
The InChIKey is QKKWDLVDTQMTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-16-4-9-21-19(14-16)20(26)15-22(29-21)23(27)25-12-10-24(11-13-25)17-5-7-18(28-2)8-6-17/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of 6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one?
6-ethyl-2-[4-(4-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-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 4870327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).