3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride

C13H22ClN3O2 — CID 119473975

IUPAC3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1noc(C)c1C(=O)NC(C)C1CCCNC1.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-8(11-5-4-6-14-7-11)15-13(17)12-9(2)16-18-10(12)3;/h8,11,14H,4-7H2,1-3H3,(H,15,17);1H
InChIKeyGQRZNEMMTWVFHR-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.83
Rot. Bonds3

About 3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride

3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride (PubChem CID 119473975) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride
PubChem CID119473975
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1noc(C)c1C(=O)NC(C)C1CCCNC1.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-8(11-5-4-6-14-7-11)15-13(17)12-9(2)16-18-10(12)3;/h8,11,14H,4-7H2,1-3H3,(H,15,17);1H
InChIKeyGQRZNEMMTWVFHR-UHFFFAOYSA-N
XLogP1.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119474248
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
CID 43523388
2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide
CID 103977183
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 113265500
4-methyl-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119473981
2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712
N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
CID 104671340
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 115736933

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride (CID 119473975) is 3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride is Cc1noc(C)c1C(=O)NC(C)C1CCCNC1.Cl.
What is the InChIKey of 3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride?
The InChIKey is GQRZNEMMTWVFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/c1-8(11-5-4-6-14-7-11)15-13(17)12-9(2)16-18-10(12)3;/h8,11,14H,4-7H2,1-3H3,(H,15,17);1H.
What are the key properties of 3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride?
3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119473975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).