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

C12H19N3O2 — CID 46630798

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)17-14-8)7-15-5-3-10(4-6-15)12(13)16/h10H,3-7H2,1-2H3,(H2,13,16)
InChIKeyYSHPLMPAGPLNLX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.99
Rot. Bonds3

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 46630798) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID46630798
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)17-14-8)7-15-5-3-10(4-6-15)12(13)16/h10H,3-7H2,1-2H3,(H2,13,16)
InChIKeyYSHPLMPAGPLNLX-UHFFFAOYSA-N
XLogP0.99
TPSA72.36 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide (CID 46630798) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide is Cc1noc(C)c1CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is YSHPLMPAGPLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-11(9(2)17-14-8)7-15-5-3-10(4-6-15)12(13)16/h10H,3-7H2,1-2H3,(H2,13,16).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46630798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).