1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one

C12H23N3O — CID 80553918

IUPAC1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C12H23N3O/c1-2-12(16)15-8-5-11(9-15)14-6-3-10(13)4-7-14/h10-11H,2-9,13H2,1H3
InChIKeyGVGHYAFYYFKMBF-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds2

About 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one

1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 80553918) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID80553918
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C12H23N3O/c1-2-12(16)15-8-5-11(9-15)14-6-3-10(13)4-7-14/h10-11H,2-9,13H2,1H3
InChIKeyGVGHYAFYYFKMBF-UHFFFAOYSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-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

1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 103165068
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 80552639
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557359
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
CID 80552459
3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide
CID 80553798
3-(4-aminopiperidin-1-yl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 80553937
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 80552633
1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one
CID 169229049
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330276

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one (CID 80553918) is 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is GVGHYAFYYFKMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-12(16)15-8-5-11(9-15)14-6-3-10(13)4-7-14/h10-11H,2-9,13H2,1H3.
What are the key properties of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one?
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 80553918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).