4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine

C18H25N5O2 — CID 71978113

IUPAC4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine
SMILESCc1noc(-c2ccnc(N3CCC(CN4CCOCC4)CC3)c2)n1
InChIInChI=1S/C18H25N5O2/c1-14-20-18(25-21-14)16-2-5-19-17(12-16)23-6-3-15(4-7-23)13-22-8-10-24-11-9-22/h2,5,12,15H,3-4,6-11,13H2,1H3
InChIKeyGRKCCMCROQOYKF-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.99
Rot. Bonds4

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

4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine (PubChem CID 71978113) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine
PubChem CID71978113
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine
SMILESCc1noc(-c2ccnc(N3CCC(CN4CCOCC4)CC3)c2)n1
InChIInChI=1S/C18H25N5O2/c1-14-20-18(25-21-14)16-2-5-19-17(12-16)23-6-3-15(4-7-23)13-22-8-10-24-11-9-22/h2,5,12,15H,3-4,6-11,13H2,1H3
InChIKeyGRKCCMCROQOYKF-UHFFFAOYSA-N
XLogP1.99
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine (CID 71978113) is 4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine is Cc1noc(-c2ccnc(N3CCC(CN4CCOCC4)CC3)c2)n1.
What is the InChIKey of 4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine?
The InChIKey is GRKCCMCROQOYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-20-18(25-21-14)16-2-5-19-17(12-16)23-6-3-15(4-7-23)13-22-8-10-24-11-9-22/h2,5,12,15H,3-4,6-11,13H2,1H3.
What are the key properties of 4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine?
4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine has a molecular weight of 343.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 71978113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).