3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride

C11H18ClN3O2 — CID 119464222

IUPAC3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC2CCCNC2)on1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-8-5-10(16-14-8)11(15)13-7-9-3-2-4-12-6-9;/h5,9,12H,2-4,6-7H2,1H3,(H,13,15);1H
InChIKeyWVBVGEDMNNJSPE-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.13
Rot. Bonds3

About 3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride

3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 119464222) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID119464222
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC2CCCNC2)on1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-8-5-10(16-14-8)11(15)13-7-9-3-2-4-12-6-9;/h5,9,12H,2-4,6-7H2,1H3,(H,13,15);1H
InChIKeyWVBVGEDMNNJSPE-UHFFFAOYSA-N
XLogP1.13
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 106627878
3-methyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119474248
N-[(3-hydroxycyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 103280197
N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 106127580
6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119462057
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride
CID 119461980
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 114317011
N,3-dimethyl-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 63641758
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride (CID 119464222) is 3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride is Cc1cc(C(=O)NCC2CCCNC2)on1.Cl.
What is the InChIKey of 3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is WVBVGEDMNNJSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.ClH/c1-8-5-10(16-14-8)11(15)13-7-9-3-2-4-12-6-9;/h5,9,12H,2-4,6-7H2,1H3,(H,13,15);1H.
What are the key properties of 3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119464222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).