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

C17H24N2O3 — CID 45227173

IUPAC3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CN3CCCO3)C2=O)c1
InChIInChI=1S/C17H24N2O3/c1-14-5-2-6-15(11-14)12-18-8-3-7-17(21,16(18)20)13-19-9-4-10-22-19/h2,5-6,11,21H,3-4,7-10,12-13H2,1H3
InChIKeyJNJXRLZKRWGJMT-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.49
Rot. Bonds4

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

3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one (PubChem CID 45227173) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one
PubChem CID45227173
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CN3CCCO3)C2=O)c1
InChIInChI=1S/C17H24N2O3/c1-14-5-2-6-15(11-14)12-18-8-3-7-17(21,16(18)20)13-19-9-4-10-22-19/h2,5-6,11,21H,3-4,7-10,12-13H2,1H3
InChIKeyJNJXRLZKRWGJMT-UHFFFAOYSA-N
XLogP1.49
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,2-Oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 24793450
3-{[Benzyl(methyl)amino]methyl}-1-(4-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45168211
3-{[Benzyl(methyl)amino]methyl}-1-(2,2-dimethylpropyl)-3-hydroxy-2-piperidinone
CID 45192901
1-(2,2-Dimethylpropyl)-3-{[(4-fluorobenzyl)(methyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45214632
3-Hydroxy-1-(3-methylbenzyl)-3-[(propylamino)methyl]-2-piperidinone
CID 45239784
1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56711070
1-(2-Fluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56715410
3-{[Benzyl(methyl)amino]methyl}-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
CID 56741681
Sdccgsbi-0117004.P001
CID 45177516
3-{[(2,2-Dimethylpropyl)amino]methyl}-3-hydroxy-1-(3-methylbenzyl)-2-piperidinone
CID 45168163
3-Hydroxy-1-(3-methylbenzyl)-3-(4-morpholinylmethyl)-2-piperidinone
CID 45201195
3-Hydroxy-1-(3-methylbenzyl)-3-[(4-methyl-1-piperidinyl)methyl]-2-piperidinone
CID 45226203

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one?
The IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one (CID 45227173) is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one is Cc1cccc(CN2CCCC(O)(CN3CCCO3)C2=O)c1.
What is the InChIKey of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one?
The InChIKey is JNJXRLZKRWGJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14-5-2-6-15(11-14)12-18-8-3-7-17(21,16(18)20)13-19-9-4-10-22-19/h2,5-6,11,21H,3-4,7-10,12-13H2,1H3.
What are the key properties of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one?
3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,2-oxazolidin-2-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45227173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).