1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone

C11H21N3O — CID 129406555

IUPAC1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CC[C@H](N)C2)CC1
InChIInChI=1S/C11H21N3O/c1-9(15)13-6-3-11(4-7-13)14-5-2-10(12)8-14/h10-11H,2-8,12H2,1H3/t10-/m0/s1
InChIKeyHJCJYDHOVTZMKU-JTQLQIEISA-N
MW211.31 g/mol
LogP0.03
Rot. Bonds1

About 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone

1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 129406555) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
PubChem CID129406555
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CC[C@H](N)C2)CC1
InChIInChI=1S/C11H21N3O/c1-9(15)13-6-3-11(4-7-13)14-5-2-10(12)8-14/h10-11H,2-8,12H2,1H3/t10-/m0/s1
InChIKeyHJCJYDHOVTZMKU-JTQLQIEISA-N
XLogP0.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone (CID 129406555) is 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CC[C@H](N)C2)CC1.
What is the InChIKey of 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is HJCJYDHOVTZMKU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(15)13-6-3-11(4-7-13)14-5-2-10(12)8-14/h10-11H,2-8,12H2,1H3/t10-/m0/s1.
What are the key properties of 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 211.31 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 129406555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).