3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one

C16H22N2O3 — CID 115065024

IUPAC3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C2CCCNC2)CN(Cc2cccc(O)c2)C(=O)O1
InChIInChI=1S/C16H22N2O3/c1-16(13-5-3-7-17-9-13)11-18(15(20)21-16)10-12-4-2-6-14(19)8-12/h2,4,6,8,13,17,19H,3,5,7,9-11H2,1H3
InChIKeyMCBJVXUEFNIVAI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.10
Rot. Bonds3

About 3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one

3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one (PubChem CID 115065024) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
PubChem CID115065024
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C2CCCNC2)CN(Cc2cccc(O)c2)C(=O)O1
InChIInChI=1S/C16H22N2O3/c1-16(13-5-3-7-17-9-13)11-18(15(20)21-16)10-12-4-2-6-14(19)8-12/h2,4,6,8,13,17,19H,3,5,7,9-11H2,1H3
InChIKeyMCBJVXUEFNIVAI-UHFFFAOYSA-N
XLogP2.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065021
3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065041
3-[(3-hydroxyphenyl)methyl]-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065022
(5S)-3,5-dimethyl-5-[(3S)-piperidin-3-yl]-1,3-oxazolidin-2-one
CID 171842990
3-ethyl-5-methyl-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065098
4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
CID 115067984
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564113
4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 115100485
3-[(4-fluorophenyl)methyl]-4-methyl-4-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115064284
(5S)-3-benzyl-5-[1-[3-(imidazol-1-ylmethyl)benzoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 129457134

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one (CID 115065024) is 3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one is CC1(C2CCCNC2)CN(Cc2cccc(O)c2)C(=O)O1.
What is the InChIKey of 3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is MCBJVXUEFNIVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(13-5-3-7-17-9-13)11-18(15(20)21-16)10-12-4-2-6-14(19)8-12/h2,4,6,8,13,17,19H,3,5,7,9-11H2,1H3.
What are the key properties of 3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).