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

C15H20N4O — CID 106820750

IUPAC4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine
SMILESCCc1nc(C2(N)CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C15H20N4O/c1-2-13-17-14(18-20-13)15(16)8-10-19(11-9-15)12-6-4-3-5-7-12/h3-7H,2,8-11,16H2,1H3
InChIKeyQDWUXSGULLALTB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds3

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

4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine (PubChem CID 106820750) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine.

Molecular Properties

Compound Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine
PubChem CID106820750
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine
SMILESCCc1nc(C2(N)CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C15H20N4O/c1-2-13-17-14(18-20-13)15(16)8-10-19(11-9-15)12-6-4-3-5-7-12/h3-7H,2,8-11,16H2,1H3
InChIKeyQDWUXSGULLALTB-UHFFFAOYSA-N
XLogP2.09
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
CID 106820751
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 114079407
2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 60795730
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
4-amino-4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 83266589
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 120850991
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
1-[5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856659
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine
CID 64735743
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
5-ethyl-3-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041558

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine?
The IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine (CID 106820750) is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine.
What is the SMILES notation for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine?
The canonical SMILES for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine is CCc1nc(C2(N)CCN(c3ccccc3)CC2)no1.
What is the InChIKey of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine?
The InChIKey is QDWUXSGULLALTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-13-17-14(18-20-13)15(16)8-10-19(11-9-15)12-6-4-3-5-7-12/h3-7H,2,8-11,16H2,1H3.
What are the key properties of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine?
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.09, 3 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-phenylpiperidin-4-amine is sourced from PubChem (CID 106820750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).