7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one

C19H24N2O4 — CID 46563126

IUPAC7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
SMILESCOc1ccc2c(CN3CCN(C(=O)C(C)C)CC3)cc(=O)oc2c1
InChIInChI=1S/C19H24N2O4/c1-13(2)19(23)21-8-6-20(7-9-21)12-14-10-18(22)25-17-11-15(24-3)4-5-16(14)17/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyZRULVAICSSLTQO-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.10
Rot. Bonds4

About 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one

7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one (PubChem CID 46563126) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
PubChem CID46563126
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
SMILESCOc1ccc2c(CN3CCN(C(=O)C(C)C)CC3)cc(=O)oc2c1
InChIInChI=1S/C19H24N2O4/c1-13(2)19(23)21-8-6-20(7-9-21)12-14-10-18(22)25-17-11-15(24-3)4-5-16(14)17/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyZRULVAICSSLTQO-UHFFFAOYSA-N
XLogP2.10
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 111497009
7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
CID 3570603
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 2657102
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
7-[[4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798896
4-ethyl-7-[1-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxychromen-2-one
CID 171912720
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-7-methoxychromen-2-one
CID 11940249
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxychromen-2-one
CID 8760387
7-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 8590683
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-7-methoxychromen-2-one
CID 111106910
4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 2690477

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one (CID 46563126) is 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one is COc1ccc2c(CN3CCN(C(=O)C(C)C)CC3)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one?
The InChIKey is ZRULVAICSSLTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(2)19(23)21-8-6-20(7-9-21)12-14-10-18(22)25-17-11-15(24-3)4-5-16(14)17/h4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one?
7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one has a molecular weight of 344.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one is sourced from PubChem (CID 46563126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).