3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C21H26N2O3 — CID 120735115

IUPAC3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCNCC2c2ccccc2OC)cc1
InChIInChI=1S/C21H26N2O3/c1-25-17-10-7-16(8-11-17)9-12-21(24)23-14-13-22-15-19(23)18-5-3-4-6-20(18)26-2/h3-8,10-11,19,22H,9,12-15H2,1-2H3
InChIKeyMQMJFCXBSYAYFJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.81
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 120735115) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID120735115
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCNCC2c2ccccc2OC)cc1
InChIInChI=1S/C21H26N2O3/c1-25-17-10-7-16(8-11-17)9-12-21(24)23-14-13-22-15-19(23)18-5-3-4-6-20(18)26-2/h3-8,10-11,19,22H,9,12-15H2,1-2H3
InChIKeyMQMJFCXBSYAYFJ-UHFFFAOYSA-N
XLogP2.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120734985
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 120734991
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone;hydrochloride
CID 120735083
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120734995
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
3-(1,3-benzoxazol-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120734145
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734383
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 125008891
4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide
CID 120735273

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 120735115) is 3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCNCC2c2ccccc2OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is MQMJFCXBSYAYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-17-10-7-16(8-11-17)9-12-21(24)23-14-13-22-15-19(23)18-5-3-4-6-20(18)26-2/h3-8,10-11,19,22H,9,12-15H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 120735115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).