1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione

C21H24N2O3 — CID 120735113

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
SMILESCOc1ccccc1C1CNCCN1C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-26-20-10-6-5-9-17(20)18-15-22-13-14-23(18)21(25)12-11-19(24)16-7-3-2-4-8-16/h2-10,18,22H,11-15H2,1H3
InChIKeyMKMQXMDKDHXLSP-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione

1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione (PubChem CID 120735113) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
PubChem CID120735113
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
SMILESCOc1ccccc1C1CNCCN1C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-26-20-10-6-5-9-17(20)18-15-22-13-14-23(18)21(25)12-11-19(24)16-7-3-2-4-8-16/h2-10,18,22H,11-15H2,1H3
InChIKeyMKMQXMDKDHXLSP-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 120733025
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 120734193
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 120734905
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 120734991

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione (CID 120735113) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione is COc1ccccc1C1CNCCN1C(=O)CCC(=O)c1ccccc1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione?
The InChIKey is MKMQXMDKDHXLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-20-10-6-5-9-17(20)18-15-22-13-14-23(18)21(25)12-11-19(24)16-7-3-2-4-8-16/h2-10,18,22H,11-15H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione has a molecular weight of 352.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione is sourced from PubChem (CID 120735113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).