1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone

C11H23N3O2 — CID 103388974

IUPAC1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NC(C)CN)CC1
InChIInChI=1S/C11H23N3O2/c1-9(7-12)13-10-3-5-14(6-4-10)11(15)8-16-2/h9-10,13H,3-8,12H2,1-2H3
InChIKeyWPGYKOPROCLYAU-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.44
Rot. Bonds5

About 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone

1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone (PubChem CID 103388974) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
PubChem CID103388974
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NC(C)CN)CC1
InChIInChI=1S/C11H23N3O2/c1-9(7-12)13-10-3-5-14(6-4-10)11(15)8-16-2/h9-10,13H,3-8,12H2,1-2H3
InChIKeyWPGYKOPROCLYAU-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone 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

2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
1-[4-(1-cyclopropylpropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 115720109
4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
CID 81076250
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497433
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
2-methoxy-1-[4-(2-methylpentylamino)piperidin-1-yl]ethanone
CID 43747502
2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43747615
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone (CID 103388974) is 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(NC(C)CN)CC1.
What is the InChIKey of 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is WPGYKOPROCLYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(7-12)13-10-3-5-14(6-4-10)11(15)8-16-2/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 229.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 103388974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).