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

C17H25N3O4 — CID 120987692

IUPAC2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H25N3O4/c1-23-12-15(18)17(22)20-8-6-19(7-9-20)16(21)11-13-4-3-5-14(10-13)24-2/h3-5,10,15H,6-9,11-12,18H2,1-2H3
InChIKeyHMICYJOTIUSKHM-UHFFFAOYSA-N
MW335.40 g/mol
LogP-0.12
Rot. Bonds6

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

2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 120987692) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID120987692
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H25N3O4/c1-23-12-15(18)17(22)20-8-6-19(7-9-20)16(21)11-13-4-3-5-14(10-13)24-2/h3-5,10,15H,6-9,11-12,18H2,1-2H3
InChIKeyHMICYJOTIUSKHM-UHFFFAOYSA-N
XLogP-0.12
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-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-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119754911
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120790303
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
4-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119306920
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 51093616
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 134032771
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 119306909
2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120987590

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one (CID 120987692) is 2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one is COCC(N)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1.
What is the InChIKey of 2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is HMICYJOTIUSKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-12-15(18)17(22)20-8-6-19(7-9-20)16(21)11-13-4-3-5-14(10-13)24-2/h3-5,10,15H,6-9,11-12,18H2,1-2H3.
What are the key properties of 2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 335.40 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 120987692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).