4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine

C13H24N4O — CID 114079407

IUPAC4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCCc1nc(C2(N)CCN(CC(C)C)CC2)no1
InChIInChI=1S/C13H24N4O/c1-4-11-15-12(16-18-11)13(14)5-7-17(8-6-13)9-10(2)3/h10H,4-9,14H2,1-3H3
InChIKeyBZTFMWTWCWHZAX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.54
Rot. Bonds4

About 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine

4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 114079407) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID114079407
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCCc1nc(C2(N)CCN(CC(C)C)CC2)no1
InChIInChI=1S/C13H24N4O/c1-4-11-15-12(16-18-11)13(14)5-7-17(8-6-13)9-10(2)3/h10H,4-9,14H2,1-3H3
InChIKeyBZTFMWTWCWHZAX-UHFFFAOYSA-N
XLogP1.54
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 83266589
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine
CID 106820750
1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077749
1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077748
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429525
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine
CID 64735743
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859082
1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852375
1-[5-[2-(4-ethylphenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864665
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine
CID 65090399

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine (CID 114079407) is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine is CCc1nc(C2(N)CCN(CC(C)C)CC2)no1.
What is the InChIKey of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is BZTFMWTWCWHZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-11-15-12(16-18-11)13(14)5-7-17(8-6-13)9-10(2)3/h10H,4-9,14H2,1-3H3.
What are the key properties of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine?
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 114079407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).