1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one

C22H28N2O2 — CID 110310547

IUPAC1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCOc1cccc(C2CN(C(=O)CCc3ccc(C)cc3)CCN2C)c1
InChIInChI=1S/C22H28N2O2/c1-17-7-9-18(10-8-17)11-12-22(25)24-14-13-23(2)21(16-24)19-5-4-6-20(15-19)26-3/h4-10,15,21H,11-14,16H2,1-3H3
InChIKeyIDPWQFVXRDSUIN-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.45
Rot. Bonds5

About 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one

1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one (PubChem CID 110310547) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
PubChem CID110310547
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCOc1cccc(C2CN(C(=O)CCc3ccc(C)cc3)CCN2C)c1
InChIInChI=1S/C22H28N2O2/c1-17-7-9-18(10-8-17)11-12-22(25)24-14-13-23(2)21(16-24)19-5-4-6-20(15-19)26-3/h4-10,15,21H,11-14,16H2,1-3H3
InChIKeyIDPWQFVXRDSUIN-UHFFFAOYSA-N
XLogP3.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110293250
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110310564
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
CID 110310567
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310464
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110354832
3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110310562
3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398756
2-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]propan-1-one
CID 110632008
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one (CID 110310547) is 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one is COc1cccc(C2CN(C(=O)CCc3ccc(C)cc3)CCN2C)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one?
The InChIKey is IDPWQFVXRDSUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-7-9-18(10-8-17)11-12-22(25)24-14-13-23(2)21(16-24)19-5-4-6-20(15-19)26-3/h4-10,15,21H,11-14,16H2,1-3H3.
What are the key properties of 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one?
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 110310547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).