(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

C23H28N2O4 — CID 120734578

IUPAC(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccc2c(c1)CC(C(=O)N1CCNCC1c1ccccc1OC)CO2
InChIInChI=1S/C23H28N2O4/c1-3-28-18-8-9-21-16(13-18)12-17(15-29-21)23(26)25-11-10-24-14-20(25)19-6-4-5-7-22(19)27-2/h4-9,13,17,20,24H,3,10-12,14-15H2,1-2H3
InChIKeyHTQOAXURFQLQIC-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.82
Rot. Bonds5

About (6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120734578) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120734578
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccc2c(c1)CC(C(=O)N1CCNCC1c1ccccc1OC)CO2
InChIInChI=1S/C23H28N2O4/c1-3-28-18-8-9-21-16(13-18)12-17(15-29-21)23(26)25-11-10-24-14-20(25)19-6-4-5-7-22(19)27-2/h4-9,13,17,20,24H,3,10-12,14-15H2,1-2H3
InChIKeyHTQOAXURFQLQIC-UHFFFAOYSA-N
XLogP2.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735066
(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996999
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92598542
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone;hydrochloride
CID 120735083
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120734985
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride
CID 120734241

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 120734578) is (6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is CCOc1ccc2c(c1)CC(C(=O)N1CCNCC1c1ccccc1OC)CO2.
What is the InChIKey of (6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is HTQOAXURFQLQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-28-18-8-9-21-16(13-18)12-17(15-29-21)23(26)25-11-10-24-14-20(25)19-6-4-5-7-22(19)27-2/h4-9,13,17,20,24H,3,10-12,14-15H2,1-2H3.
What are the key properties of (6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 396.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120734578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).