3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C11H23N3O2 — CID 106111361

IUPAC3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3O2/c1-9(2)13-4-6-14(7-5-13)11(15)10(8-12)16-3/h9-10H,4-8,12H2,1-3H3
InChIKeyHTUVYHIXFMVODC-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.49
Rot. Bonds4

About 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 106111361) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID106111361
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3O2/c1-9(2)13-4-6-14(7-5-13)11(15)10(8-12)16-3/h9-10H,4-8,12H2,1-3H3
InChIKeyHTUVYHIXFMVODC-UHFFFAOYSA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-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

4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 106112145
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138
3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 106111291
3-amino-2-methoxy-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one
CID 106112176
1-(3-amino-2-methoxypropanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106114108
3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one
CID 114145012
3-amino-1-(3-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111292
3-amino-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 120502801
3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
CID 106112209
2-bromo-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 43585221
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 86990301

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 106111361) is 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is COC(CN)C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is HTUVYHIXFMVODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(2)13-4-6-14(7-5-13)11(15)10(8-12)16-3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 229.32 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 106111361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).