[(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone

C13H24N2O — CID 59105169

IUPAC[(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone
SMILESCCN1CCCC[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O/c1-2-14-9-7-4-8-12(14)13(16)15-10-5-3-6-11-15/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyHLIOAIQNVAWOLG-LBPRGKRZSA-N
MW224.35 g/mol
LogP1.87
Rot. Bonds2

About [(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone

[(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 59105169) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone
PubChem CID59105169
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone
SMILESCCN1CCCC[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O/c1-2-14-9-7-4-8-12(14)13(16)15-10-5-3-6-11-15/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyHLIOAIQNVAWOLG-LBPRGKRZSA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-ethylpiperidin-2-yl]-piperidin-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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone (CID 59105169) is [(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone is CCN1CCCC[C@H]1C(=O)N1CCCCC1.
What is the InChIKey of [(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is HLIOAIQNVAWOLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-14-9-7-4-8-12(14)13(16)15-10-5-3-6-11-15/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone?
[(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 224.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-ethylpiperidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 59105169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).