1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine

C16H22N4O — CID 106820751

IUPAC1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
SMILESCCCc1nc(C2(N)CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C16H22N4O/c1-2-6-14-18-15(19-21-14)16(17)9-11-20(12-10-16)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,17H2,1H3
InChIKeyPPKUCOVUEBGCDW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.48
Rot. Bonds4

About 1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine

1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine (PubChem CID 106820751) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
PubChem CID106820751
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
SMILESCCCc1nc(C2(N)CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C16H22N4O/c1-2-6-14-18-15(19-21-14)16(17)9-11-20(12-10-16)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,17H2,1H3
InChIKeyPPKUCOVUEBGCDW-UHFFFAOYSA-N
XLogP2.48
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine?
The IUPAC name of 1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine (CID 106820751) is 1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine?
The canonical SMILES for 1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine is CCCc1nc(C2(N)CCN(c3ccccc3)CC2)no1.
What is the InChIKey of 1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine?
The InChIKey is PPKUCOVUEBGCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-6-14-18-15(19-21-14)16(17)9-11-20(12-10-16)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,17H2,1H3.
What are the key properties of 1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine?
1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine is sourced from PubChem (CID 106820751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).