1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine

C19H21N5O2 — CID 56770198

IUPAC1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine
SMILESCOc1ccc(-c2noc(-c3ccnc(N4CCC(N)CC4)c3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-25-16-4-2-13(3-5-16)18-22-19(26-23-18)14-6-9-21-17(12-14)24-10-7-15(20)8-11-24/h2-6,9,12,15H,7-8,10-11,20H2,1H3
InChIKeyFGQYWAIMHWEVQS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.73
Rot. Bonds4

About 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine

1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine (PubChem CID 56770198) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine
PubChem CID56770198
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine
SMILESCOc1ccc(-c2noc(-c3ccnc(N4CCC(N)CC4)c3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-25-16-4-2-13(3-5-16)18-22-19(26-23-18)14-6-9-21-17(12-14)24-10-7-15(20)8-11-24/h2-6,9,12,15H,7-8,10-11,20H2,1H3
InChIKeyFGQYWAIMHWEVQS-UHFFFAOYSA-N
XLogP2.73
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine (CID 56770198) is 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine is COc1ccc(-c2noc(-c3ccnc(N4CCC(N)CC4)c3)n2)cc1.
What is the InChIKey of 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine?
The InChIKey is FGQYWAIMHWEVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-25-16-4-2-13(3-5-16)18-22-19(26-23-18)14-6-9-21-17(12-14)24-10-7-15(20)8-11-24/h2-6,9,12,15H,7-8,10-11,20H2,1H3.
What are the key properties of 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine?
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 56770198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).