4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one

C10H16N2O2 — CID 83857123

IUPAC4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one
SMILESCC1C(=O)ON=C1CC1CCNCC1
InChIInChI=1S/C10H16N2O2/c1-7-9(12-14-10(7)13)6-8-2-4-11-5-3-8/h7-8,11H,2-6H2,1H3
InChIKeyQKXKCHCOBUKORD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.93
Rot. Bonds2

About 4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one

4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one (PubChem CID 83857123) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one
PubChem CID83857123
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one
SMILESCC1C(=O)ON=C1CC1CCNCC1
InChIInChI=1S/C10H16N2O2/c1-7-9(12-14-10(7)13)6-8-2-4-11-5-3-8/h7-8,11H,2-6H2,1H3
InChIKeyQKXKCHCOBUKORD-UHFFFAOYSA-N
XLogP0.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

4-[(5-methylthiophen-2-yl)methyl]piperidine
CID 83685814
3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83484496
1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone
CID 115093984
3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83848363
N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116806158
5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-one
CID 115077243
4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 114998934
4-[(4,6-dimethylpyrimidin-2-yl)methyl]azepane
CID 84685067
2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
CID 84679848
1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one
CID 117399773
4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 110099244

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one?
The IUPAC name of 4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one (CID 83857123) is 4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one is CC1C(=O)ON=C1CC1CCNCC1.
What is the InChIKey of 4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one?
The InChIKey is QKXKCHCOBUKORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-9(12-14-10(7)13)6-8-2-4-11-5-3-8/h7-8,11H,2-6H2,1H3.
What are the key properties of 4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one?
4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one has a molecular weight of 196.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(piperidin-4-ylmethyl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 83857123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).