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

C20H37N3O2 — CID 45219362

IUPAC1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
SMILESCN1CCC(N(C)CC2(O)CCCN(CC3CCCCC3)C2=O)CC1
InChIInChI=1S/C20H37N3O2/c1-21-13-9-18(10-14-21)22(2)16-20(25)11-6-12-23(19(20)24)15-17-7-4-3-5-8-17/h17-18,25H,3-16H2,1-2H3
InChIKeyJUTVNBVWGVMJSA-UHFFFAOYSA-N
MW351.54 g/mol
LogP1.95
Rot. Bonds5

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

1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one (PubChem CID 45219362) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
PubChem CID45219362
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC Name1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
SMILESCN1CCC(N(C)CC2(O)CCCN(CC3CCCCC3)C2=O)CC1
InChIInChI=1S/C20H37N3O2/c1-21-13-9-18(10-14-21)22(2)16-20(25)11-6-12-23(19(20)24)15-17-7-4-3-5-8-17/h17-18,25H,3-16H2,1-2H3
InChIKeyJUTVNBVWGVMJSA-UHFFFAOYSA-N
XLogP1.95
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]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 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one (CID 45219362) is 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one is CN1CCC(N(C)CC2(O)CCCN(CC3CCCCC3)C2=O)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one?
The InChIKey is JUTVNBVWGVMJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-21-13-9-18(10-14-21)22(2)16-20(25)11-6-12-23(19(20)24)15-17-7-4-3-5-8-17/h17-18,25H,3-16H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one?
1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one has a molecular weight of 351.54 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 45219362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).