3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one

C19H30N2O2 — CID 45168163

IUPAC3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CNCC(C)(C)C)C2=O)c1
InChIInChI=1S/C19H30N2O2/c1-15-7-5-8-16(11-15)12-21-10-6-9-19(23,17(21)22)14-20-13-18(2,3)4/h5,7-8,11,20,23H,6,9-10,12-14H2,1-4H3
InChIKeyIIFAZIBCZSKTJA-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.48
Rot. Bonds5

About 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one

3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one (PubChem CID 45168163) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
PubChem CID45168163
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CNCC(C)(C)C)C2=O)c1
InChIInChI=1S/C19H30N2O2/c1-15-7-5-8-16(11-15)12-21-10-6-9-19(23,17(21)22)14-20-13-18(2,3)4/h5,7-8,11,20,23H,6,9-10,12-14H2,1-4H3
InChIKeyIIFAZIBCZSKTJA-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)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

Related Compounds

1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791484
3-{[(2,2-Dimethylpropyl)amino]methyl}-1-(2-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45223099
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24817290
1-(2,3-Difluorobenzyl)-3-{[(2,2-dimethylpropyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45194009
3-[(Cyclopentylamino)methyl]-1-(2,3-difluorobenzyl)-3-hydroxy-2-piperidinone
CID 45248885
1-(2,3-Difluorobenzyl)-3-{[(3-fluorobenzyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45227864
3-{[Benzyl(methyl)amino]methyl}-1-(4-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45168211
3-[(Benzylamino)methyl]-1-(2,3-difluorobenzyl)-3-hydroxy-2-piperidinone
CID 45180101
1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[(2-methyl-2-propen-1-yl)amino]methyl}-2-piperidinone
CID 45181479
1-(2,3-Difluorobenzyl)-3-hydroxy-3-(1-piperidinylmethyl)-2-piperidinone
CID 45188113
1-(2-Fluorobenzyl)-3-hydroxy-3-{[(1-methyl-4-piperidinyl)amino]methyl}-2-piperidinone
CID 45189456
3-{[Benzyl(methyl)amino]methyl}-1-(2,2-dimethylpropyl)-3-hydroxy-2-piperidinone
CID 45192901

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one?
The IUPAC name of 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one (CID 45168163) is 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one is Cc1cccc(CN2CCCC(O)(CNCC(C)(C)C)C2=O)c1.
What is the InChIKey of 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one?
The InChIKey is IIFAZIBCZSKTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-7-5-8-16(11-15)12-21-10-6-9-19(23,17(21)22)14-20-13-18(2,3)4/h5,7-8,11,20,23H,6,9-10,12-14H2,1-4H3.
What are the key properties of 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one?
3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one has a molecular weight of 318.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpropylamino)methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 45168163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).