4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide

C12H19N3O2 — CID 114423857

IUPAC4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide
SMILESCc1cc(CNC(=O)C2CC(C)CCN2)no1
InChIInChI=1S/C12H19N3O2/c1-8-3-4-13-11(5-8)12(16)14-7-10-6-9(2)17-15-10/h6,8,11,13H,3-5,7H2,1-2H3,(H,14,16)
InChIKeyOMIMQQQKWIHOIQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.99
Rot. Bonds3

About 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide

4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide (PubChem CID 114423857) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide
PubChem CID114423857
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide
SMILESCc1cc(CNC(=O)C2CC(C)CCN2)no1
InChIInChI=1S/C12H19N3O2/c1-8-3-4-13-11(5-8)12(16)14-7-10-6-9(2)17-15-10/h6,8,11,13H,3-5,7H2,1-2H3,(H,14,16)
InChIKeyOMIMQQQKWIHOIQ-UHFFFAOYSA-N
XLogP0.99
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide (CID 114423857) is 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide is Cc1cc(CNC(=O)C2CC(C)CCN2)no1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide?
The InChIKey is OMIMQQQKWIHOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-3-4-13-11(5-8)12(16)14-7-10-6-9(2)17-15-10/h6,8,11,13H,3-5,7H2,1-2H3,(H,14,16).
What are the key properties of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide?
4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 114423857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).