2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride

C16H27ClN4O2 — CID 119818447

IUPAC2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCCC(c2noc(C3CC3)n2)C1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-3-8-16(2,17)15(21)20-9-4-5-12(10-20)13-18-14(22-19-13)11-6-7-11;/h11-12H,3-10,17H2,1-2H3;1H
InChIKeyZMBUPXCNJHJWCV-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.59
Rot. Bonds5

About 2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride

2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride (PubChem CID 119818447) has the molecular formula C16H27ClN4O2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride
PubChem CID119818447
Molecular FormulaC16H27ClN4O2
Molecular Weight342.87 g/mol
Exact Mass342.18
IUPAC Name2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCCC(c2noc(C3CC3)n2)C1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-3-8-16(2,17)15(21)20-9-4-5-12(10-20)13-18-14(22-19-13)11-6-7-11;/h11-12H,3-10,17H2,1-2H3;1H
InChIKeyZMBUPXCNJHJWCV-UHFFFAOYSA-N
XLogP2.59
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpentan-1-one
CID 119768486
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120852446
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
2-(4-aminophenyl)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 119818407
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one
CID 129467476
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 60848400
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119343470
3-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119952465
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride (CID 119818447) is 2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride is CCCC(C)(N)C(=O)N1CCCC(c2noc(C3CC3)n2)C1.Cl.
What is the InChIKey of 2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride?
The InChIKey is ZMBUPXCNJHJWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.ClH/c1-3-8-16(2,17)15(21)20-9-4-5-12(10-20)13-18-14(22-19-13)11-6-7-11;/h11-12H,3-10,17H2,1-2H3;1H.
What are the key properties of 2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride?
2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119818447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).