5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one

C13H24N2O2 — CID 117158969

IUPAC5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCCC(CC2(C)CNC(=O)O2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)15-6-4-5-11(8-15)7-13(3)9-14-12(16)17-13/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyDRFZLVAXIOVPMQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds3

About 5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one

5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 117158969) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID117158969
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCCC(CC2(C)CNC(=O)O2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)15-6-4-5-11(8-15)7-13(3)9-14-12(16)17-13/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyDRFZLVAXIOVPMQ-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one
CID 117159042
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 117158807
5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 117158949
5-methyl-5-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
CID 117158959
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one
CID 14698772
3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 127287267
methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103333
2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227751
5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one
CID 117158906

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one (CID 117158969) is 5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one is CC(C)N1CCCC(CC2(C)CNC(=O)O2)C1.
What is the InChIKey of 5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is DRFZLVAXIOVPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)15-6-4-5-11(8-15)7-13(3)9-14-12(16)17-13/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one?
5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).