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

C17H25N5O — CID 50965970

IUPAC1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCCCN1CCC(NCCc2nc(-c3cccnc3)no2)CC1
InChIInChI=1S/C17H25N5O/c1-2-10-22-11-6-15(7-12-22)19-9-5-16-20-17(21-23-16)14-4-3-8-18-13-14/h3-4,8,13,15,19H,2,5-7,9-12H2,1H3
InChIKeyFOZUACRLOHMCSJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.14
Rot. Bonds7

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

1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 50965970) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
PubChem CID50965970
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCCCN1CCC(NCCc2nc(-c3cccnc3)no2)CC1
InChIInChI=1S/C17H25N5O/c1-2-10-22-11-6-15(7-12-22)19-9-5-16-20-17(21-23-16)14-4-3-8-18-13-14/h3-4,8,13,15,19H,2,5-7,9-12H2,1H3
InChIKeyFOZUACRLOHMCSJ-UHFFFAOYSA-N
XLogP2.14
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (CID 50965970) is 1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is CCCN1CCC(NCCc2nc(-c3cccnc3)no2)CC1.
What is the InChIKey of 1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is FOZUACRLOHMCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-2-10-22-11-6-15(7-12-22)19-9-5-16-20-17(21-23-16)14-4-3-8-18-13-14/h3-4,8,13,15,19H,2,5-7,9-12H2,1H3.
What are the key properties of 1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 50965970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).