1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one

C15H22N2O2 — CID 107507077

IUPAC1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one
SMILESCOCC(=O)CN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-16-8-9-17(10-14(18)12-19-2)15(11-16)13-6-4-3-5-7-13/h3-7,15H,8-12H2,1-2H3
InChIKeyORXWSHXDESGNGD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.19
Rot. Bonds5

About 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one

1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one (PubChem CID 107507077) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one
PubChem CID107507077
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one
SMILESCOCC(=O)CN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-16-8-9-17(10-14(18)12-19-2)15(11-16)13-6-4-3-5-7-13/h3-7,15H,8-12H2,1-2H3
InChIKeyORXWSHXDESGNGD-UHFFFAOYSA-N
XLogP1.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
N-(4-chlorophenyl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801852
1-ethyl-3-(2-methoxyethyl)-2-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110939947
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801973
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801947

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one (CID 107507077) is 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one is COCC(=O)CN1CCN(C)CC1c1ccccc1.
What is the InChIKey of 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one?
The InChIKey is ORXWSHXDESGNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-8-9-17(10-14(18)12-19-2)15(11-16)13-6-4-3-5-7-13/h3-7,15H,8-12H2,1-2H3.
What are the key properties of 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one?
1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 107507077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).