4-methylpiperidin-2-one;propane

C9H19NO — CID 142565813

IUPAC4-methylpiperidin-2-one;propane
SMILESCC1CCNC(=O)C1.CCC
InChIInChI=1S/C6H11NO.C3H8/c1-5-2-3-7-6(8)4-5;1-3-2/h5H,2-4H2,1H3,(H,7,8);3H2,1-2H3
InChIKeyOZMRZEAZLKVDGB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds

About 4-methylpiperidin-2-one;propane

4-methylpiperidin-2-one;propane (PubChem CID 142565813) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methylpiperidin-2-one;propane.

Molecular Properties

Compound Name4-methylpiperidin-2-one;propane
PubChem CID142565813
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methylpiperidin-2-one;propane
SMILESCC1CCNC(=O)C1.CCC
InChIInChI=1S/C6H11NO.C3H8/c1-5-2-3-7-6(8)4-5;1-3-2/h5H,2-4H2,1H3,(H,7,8);3H2,1-2H3
InChIKeyOZMRZEAZLKVDGB-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methylpiperidin-2-one;propane 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 4-methylpiperidin-2-one;propane?
The IUPAC name of 4-methylpiperidin-2-one;propane (CID 142565813) is 4-methylpiperidin-2-one;propane.
What is the SMILES notation for 4-methylpiperidin-2-one;propane?
The canonical SMILES for 4-methylpiperidin-2-one;propane is CC1CCNC(=O)C1.CCC.
What is the InChIKey of 4-methylpiperidin-2-one;propane?
The InChIKey is OZMRZEAZLKVDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H8/c1-5-2-3-7-6(8)4-5;1-3-2/h5H,2-4H2,1H3,(H,7,8);3H2,1-2H3.
What are the key properties of 4-methylpiperidin-2-one;propane?
4-methylpiperidin-2-one;propane has a molecular weight of 157.26 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidin-2-one;propane is sourced from PubChem (CID 142565813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).