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

C21H33N3O2 — CID 45174681

IUPAC3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCN1CCC(N(C)CC2(O)CCCN(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C21H33N3O2/c1-22-14-10-19(11-15-22)23(2)17-21(26)12-6-13-24(20(21)25)16-9-18-7-4-3-5-8-18/h3-5,7-8,19,26H,6,9-17H2,1-2H3
InChIKeyFJFIPHDAFDUODX-UHFFFAOYSA-N
MW359.51 g/mol
LogP1.61
Rot. Bonds6

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

3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one (PubChem CID 45174681) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
PubChem CID45174681
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCN1CCC(N(C)CC2(O)CCCN(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C21H33N3O2/c1-22-14-10-19(11-15-22)23(2)17-21(26)12-6-13-24(20(21)25)16-9-18-7-4-3-5-8-18/h3-5,7-8,19,26H,6,9-17H2,1-2H3
InChIKeyFJFIPHDAFDUODX-UHFFFAOYSA-N
XLogP1.61
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)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

Related Compounds

(3S)-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95227431
(3S)-3-hydroxy-3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95228907
1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
CID 45219362
(3S)-3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95207502
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
CID 56741681
(3S)-3-hydroxy-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95211593
(3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95210457
3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 56746683
3-hydroxy-3-[(2-hydroxyethylamino)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 56701415
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
(3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
CID 42595185

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one (CID 45174681) is 3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one is CN1CCC(N(C)CC2(O)CCCN(CCc3ccccc3)C2=O)CC1.
What is the InChIKey of 3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is FJFIPHDAFDUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-22-14-10-19(11-15-22)23(2)17-21(26)12-6-13-24(20(21)25)16-9-18-7-4-3-5-8-18/h3-5,7-8,19,26H,6,9-17H2,1-2H3.
What are the key properties of 3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one?
3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 359.51 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 45174681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).