2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride

C13H23ClN4O2 — CID 120776067

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCC(N)C(C)(C)C2)no1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-9-6-11(16-19-9)15-12(18)7-17-5-4-10(14)13(2,3)8-17;/h6,10H,4-5,7-8,14H2,1-3H3,(H,15,16,18);1H
InChIKeyMGRABVHAPMYRCW-UHFFFAOYSA-N
MW302.81 g/mol
LogP1.40
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride (PubChem CID 120776067) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
PubChem CID120776067
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCC(N)C(C)(C)C2)no1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-9-6-11(16-19-9)15-12(18)7-17-5-4-10(14)13(2,3)8-17;/h6,10H,4-5,7-8,14H2,1-3H3,(H,15,16,18);1H
InChIKeyMGRABVHAPMYRCW-UHFFFAOYSA-N
XLogP1.40
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120773332
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 120776678
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119922199
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821
4-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124886
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119905235
(2R)-N,2-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-2-carboxamide
CID 92632771
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 120774607
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 56806097
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 114779698

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride (CID 120776067) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride is Cc1cc(NC(=O)CN2CCC(N)C(C)(C)C2)no1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The InChIKey is MGRABVHAPMYRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-9-6-11(16-19-9)15-12(18)7-17-5-4-10(14)13(2,3)8-17;/h6,10H,4-5,7-8,14H2,1-3H3,(H,15,16,18);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120776067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).