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

C12H19N3O2 — CID 52750996

IUPAC4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(C)CC2)no1
InChIInChI=1S/C12H19N3O2/c1-9-3-5-15(6-4-9)12(16)13-8-11-7-10(2)17-14-11/h7,9H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyVAZIBNLEGSSJGN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.92
Rot. Bonds2

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

4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 52750996) 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-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID52750996
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(C)CC2)no1
InChIInChI=1S/C12H19N3O2/c1-9-3-5-15(6-4-9)12(16)13-8-11-7-10(2)17-14-11/h7,9H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyVAZIBNLEGSSJGN-UHFFFAOYSA-N
XLogP1.92
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-1-carboxamide?
The IUPAC name of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide (CID 52750996) is 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide is Cc1cc(CNC(=O)N2CCC(C)CC2)no1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is VAZIBNLEGSSJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-3-5-15(6-4-9)12(16)13-8-11-7-10(2)17-14-11/h7,9H,3-6,8H2,1-2H3,(H,13,16).
What are the key properties of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide?
4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 52750996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).