[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

C12H23N3O — CID 79161243

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC(N)C1CCCCN1C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O/c1-10(13)11-6-2-3-9-15(11)12(16)14-7-4-5-8-14/h10-11H,2-9,13H2,1H3
InChIKeyHNSXXXFUFNGJPP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.40
Rot. Bonds1

About [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 79161243) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID79161243
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC(N)C1CCCCN1C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O/c1-10(13)11-6-2-3-9-15(11)12(16)14-7-4-5-8-14/h10-11H,2-9,13H2,1H3
InChIKeyHNSXXXFUFNGJPP-UHFFFAOYSA-N
XLogP1.40
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone 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-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119436103
1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731
1-[2-(1-aminoethyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 112701185
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 114875604
N-[(2R)-1-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569304
1-[2-(1-aminoethyl)piperidin-1-yl]but-3-en-1-one
CID 63254842
N-[(2R)-1-[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569307
(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493927
(2S)-2-amino-1-[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493925
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119434682

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 79161243) is [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is CC(N)C1CCCCN1C(=O)N1CCCC1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HNSXXXFUFNGJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(13)11-6-2-3-9-15(11)12(16)14-7-4-5-8-14/h10-11H,2-9,13H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 225.34 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 79161243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).