3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one

C20H30N2O2 — CID 45226203

IUPAC3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CN3CCC(C)CC3)C2=O)c1
InChIInChI=1S/C20H30N2O2/c1-16-7-11-21(12-8-16)15-20(24)9-4-10-22(19(20)23)14-18-6-3-5-17(2)13-18/h3,5-6,13,16,24H,4,7-12,14-15H2,1-2H3
InChIKeyBHYIZBAYHKFACA-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.58
Rot. Bonds4

About 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one

3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one (PubChem CID 45226203) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one
PubChem CID45226203
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CN3CCC(C)CC3)C2=O)c1
InChIInChI=1S/C20H30N2O2/c1-16-7-11-21(12-8-16)15-20(24)9-4-10-22(19(20)23)14-18-6-3-5-17(2)13-18/h3,5-6,13,16,24H,4,7-12,14-15H2,1-2H3
InChIKeyBHYIZBAYHKFACA-UHFFFAOYSA-N
XLogP2.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one 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 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one (CID 45226203) is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one is Cc1cccc(CN2CCCC(O)(CN3CCC(C)CC3)C2=O)c1.
What is the InChIKey of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one?
The InChIKey is BHYIZBAYHKFACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-7-11-21(12-8-16)15-20(24)9-4-10-22(19(20)23)14-18-6-3-5-17(2)13-18/h3,5-6,13,16,24H,4,7-12,14-15H2,1-2H3.
What are the key properties of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one?
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one has a molecular weight of 330.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 45226203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).