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

C24H29N5O2 — CID 53162753

IUPAC4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESc1ccc(CC2CCN(Cc3nc(-c4ccc(N5CCOCC5)nc4)no3)CC2)cc1
InChIInChI=1S/C24H29N5O2/c1-2-4-19(5-3-1)16-20-8-10-28(11-9-20)18-23-26-24(27-31-23)21-6-7-22(25-17-21)29-12-14-30-15-13-29/h1-7,17,20H,8-16,18H2
InChIKeyALURAEHKEJTLDD-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.42
Rot. Bonds6

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

4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 53162753) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
PubChem CID53162753
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESc1ccc(CC2CCN(Cc3nc(-c4ccc(N5CCOCC5)nc4)no3)CC2)cc1
InChIInChI=1S/C24H29N5O2/c1-2-4-19(5-3-1)16-20-8-10-28(11-9-20)18-23-26-24(27-31-23)21-6-7-22(25-17-21)29-12-14-30-15-13-29/h1-7,17,20H,8-16,18H2
InChIKeyALURAEHKEJTLDD-UHFFFAOYSA-N
XLogP3.42
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (CID 53162753) is 4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is c1ccc(CC2CCN(Cc3nc(-c4ccc(N5CCOCC5)nc4)no3)CC2)cc1.
What is the InChIKey of 4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is ALURAEHKEJTLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-2-4-19(5-3-1)16-20-8-10-28(11-9-20)18-23-26-24(27-31-23)21-6-7-22(25-17-21)29-12-14-30-15-13-29/h1-7,17,20H,8-16,18H2.
What are the key properties of 4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 419.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 53162753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).