5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one

C23H26N2O4 — CID 127042921

IUPAC5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(N3CCN(CCc4ccccc4)CC3)oc2c1
InChIInChI=1S/C23H26N2O4/c1-27-18-14-20(28-2)23-19(26)16-22(29-21(23)15-18)25-12-10-24(11-13-25)9-8-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
InChIKeyOHLPEDRWIREBEI-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.17
Rot. Bonds6

About 5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one

5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one (PubChem CID 127042921) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one
PubChem CID127042921
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(N3CCN(CCc4ccccc4)CC3)oc2c1
InChIInChI=1S/C23H26N2O4/c1-27-18-14-20(28-2)23-19(26)16-22(29-21(23)15-18)25-12-10-24(11-13-25)9-8-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
InChIKeyOHLPEDRWIREBEI-UHFFFAOYSA-N
XLogP3.17
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(5,7-dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 127042305
5,7-dimethoxy-2-[4-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]chromen-4-one
CID 127028355
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one
CID 135052964
2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one
CID 46844185
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
CID 118720221
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952
5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one
CID 12730612
5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
CID 54102075
5-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]benzonitrile
CID 23111514
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzoxazol-2-one
CID 13343526
5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one
CID 22906454

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one (CID 127042921) is 5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one is COc1cc(OC)c2c(=O)cc(N3CCN(CCc4ccccc4)CC3)oc2c1.
What is the InChIKey of 5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one?
The InChIKey is OHLPEDRWIREBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-27-18-14-20(28-2)23-19(26)16-22(29-21(23)15-18)25-12-10-24(11-13-25)9-8-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3.
What are the key properties of 5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one?
5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one has a molecular weight of 394.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one is sourced from PubChem (CID 127042921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).