3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one

C16H21ClN2O2 — CID 115065041

IUPAC3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C2CCCNC2)CN(Cc2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C16H21ClN2O2/c1-16(13-3-2-8-18-9-13)11-19(15(20)21-16)10-12-4-6-14(17)7-5-12/h4-7,13,18H,2-3,8-11H2,1H3
InChIKeyDMYFUUWQPDTDOD-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.05
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one

3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one (PubChem CID 115065041) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
PubChem CID115065041
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C2CCCNC2)CN(Cc2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C16H21ClN2O2/c1-16(13-3-2-8-18-9-13)11-19(15(20)21-16)10-12-4-6-14(17)7-5-12/h4-7,13,18H,2-3,8-11H2,1H3
InChIKeyDMYFUUWQPDTDOD-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one (CID 115065041) is 3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one is CC1(C2CCCNC2)CN(Cc2ccc(Cl)cc2)C(=O)O1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is DMYFUUWQPDTDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-16(13-3-2-8-18-9-13)11-19(15(20)21-16)10-12-4-6-14(17)7-5-12/h4-7,13,18H,2-3,8-11H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 308.81 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).