1-[(2S)-piperidin-2-yl]ethanone

C7H13NO — CID 10879277

IUPAC1-[(2S)-piperidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C7H13NO/c1-6(9)7-4-2-3-5-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1
InChIKeySHTKZOSFNVMLJZ-ZETCQYMHSA-N
MW127.19 g/mol
LogP0.72
Rot. Bonds1

About 1-[(2S)-piperidin-2-yl]ethanone

1-[(2S)-piperidin-2-yl]ethanone (PubChem CID 10879277) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-[(2S)-piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-piperidin-2-yl]ethanone
PubChem CID10879277
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-[(2S)-piperidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C7H13NO/c1-6(9)7-4-2-3-5-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1
InChIKeySHTKZOSFNVMLJZ-ZETCQYMHSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-piperidin-2-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-[(2S)-piperidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-piperidin-2-yl]ethanone (CID 10879277) is 1-[(2S)-piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-piperidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-piperidin-2-yl]ethanone is CC(=O)[C@@H]1CCCCN1.
What is the InChIKey of 1-[(2S)-piperidin-2-yl]ethanone?
The InChIKey is SHTKZOSFNVMLJZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)7-4-2-3-5-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-piperidin-2-yl]ethanone?
1-[(2S)-piperidin-2-yl]ethanone has a molecular weight of 127.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-piperidin-2-yl]ethanone is sourced from PubChem (CID 10879277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).