N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride

C13H22ClN3O2 — CID 120670803

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC2NCCCC2(C)C)no1.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-9-7-10(16-18-9)12(17)15-8-11-13(2,3)5-4-6-14-11;/h7,11,14H,4-6,8H2,1-3H3,(H,15,17);1H
InChIKeyCLRCAMSWHVAGGI-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.91
Rot. Bonds3

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride

N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 120670803) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID120670803
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC2NCCCC2(C)C)no1.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-9-7-10(16-18-9)12(17)15-8-11-13(2,3)5-4-6-14-11;/h7,11,14H,4-6,8H2,1-3H3,(H,15,17);1H
InChIKeyCLRCAMSWHVAGGI-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120671060
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methylpyridine-2-carboxamide;dihydrochloride
CID 120671077
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120670986
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120670985
N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120670834
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride
CID 120671025
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 120670741
N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
CID 120670926
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 120670674
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
CID 114083886
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4-nitrobenzamide
CID 120670675

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 120670803) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCC2NCCCC2(C)C)no1.Cl.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is CLRCAMSWHVAGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/c1-9-7-10(16-18-9)12(17)15-8-11-13(2,3)5-4-6-14-11;/h7,11,14H,4-6,8H2,1-3H3,(H,15,17);1H.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120670803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).