4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one

C17H24N2O2 — CID 115064180

IUPAC4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one
SMILESCc1ccccc1CN1C(=O)OCC1(C)C1CCNCC1
InChIInChI=1S/C17H24N2O2/c1-13-5-3-4-6-14(13)11-19-16(20)21-12-17(19,2)15-7-9-18-10-8-15/h3-6,15,18H,7-12H2,1-2H3
InChIKeyFOLPRYVPOJCCPX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.71
Rot. Bonds3

About 4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one

4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one (PubChem CID 115064180) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one
PubChem CID115064180
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one
SMILESCc1ccccc1CN1C(=O)OCC1(C)C1CCNCC1
InChIInChI=1S/C17H24N2O2/c1-13-5-3-4-6-14(13)11-19-16(20)21-12-17(19,2)15-7-9-18-10-8-15/h3-6,15,18H,7-12H2,1-2H3
InChIKeyFOLPRYVPOJCCPX-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyphenyl)methyl]-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064378
4-methyl-3-(2-methylphenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064316
3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115064700
6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874922
1-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007163
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
CID 13192567
3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64886968
3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064321
3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098641
1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 115067165
3-[(2-methylphenyl)methyl]-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-one
CID 115007131
1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 115067200

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one (CID 115064180) is 4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one is Cc1ccccc1CN1C(=O)OCC1(C)C1CCNCC1.
What is the InChIKey of 4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one?
The InChIKey is FOLPRYVPOJCCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-5-3-4-6-14(13)11-19-16(20)21-12-17(19,2)15-7-9-18-10-8-15/h3-6,15,18H,7-12H2,1-2H3.
What are the key properties of 4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one?
4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).