1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine

C15H28N4O — CID 86786883

IUPAC1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCC(C)c1noc(CCNC2CCN(C(C)C)CC2)n1
InChIInChI=1S/C15H28N4O/c1-11(2)15-17-14(20-18-15)5-8-16-13-6-9-19(10-7-13)12(3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyOCDLAZQPNGUPBF-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.20
Rot. Bonds6

About 1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine

1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 86786883) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
PubChem CID86786883
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCC(C)c1noc(CCNC2CCN(C(C)C)CC2)n1
InChIInChI=1S/C15H28N4O/c1-11(2)15-17-14(20-18-15)5-8-16-13-6-9-19(10-7-13)12(3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyOCDLAZQPNGUPBF-UHFFFAOYSA-N
XLogP2.20
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (CID 86786883) is 1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is CC(C)c1noc(CCNC2CCN(C(C)C)CC2)n1.
What is the InChIKey of 1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is OCDLAZQPNGUPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)15-17-14(20-18-15)5-8-16-13-6-9-19(10-7-13)12(3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 280.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 86786883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).