1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride

C14H25ClN4O — CID 120852446

IUPAC1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCCC(c2noc(C3CC3)n2)C1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-14(2,15)9-18-7-3-4-11(8-18)12-16-13(19-17-12)10-5-6-10;/h10-11H,3-9,15H2,1-2H3;1H
InChIKeySLBUFPQURLTRLS-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.29
Rot. Bonds4

About 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120852446) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120852446
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCCC(c2noc(C3CC3)n2)C1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-14(2,15)9-18-7-3-4-11(8-18)12-16-13(19-17-12)10-5-6-10;/h10-11H,3-9,15H2,1-2H3;1H
InChIKeySLBUFPQURLTRLS-UHFFFAOYSA-N
XLogP2.29
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride with MolForge

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Related Compounds

2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119818447
5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 95780160
2-cyclopropyl-5-[[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95780156
3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 96512003
5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 96512014
4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 95780111
(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol
CID 95780115
2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95780078
5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 71928571
2-(4-aminophenyl)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 119818407
2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 100837584
7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one
CID 129467476

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120852446) is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CN1CCCC(c2noc(C3CC3)n2)C1.Cl.
What is the InChIKey of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is SLBUFPQURLTRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.ClH/c1-14(2,15)9-18-7-3-4-11(8-18)12-16-13(19-17-12)10-5-6-10;/h10-11H,3-9,15H2,1-2H3;1H.
What are the key properties of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120852446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).