3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one

C18H22N4O4 — CID 23612551

IUPAC3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=C(N1CCOCC1)N1CCC(n2nc(-c3ccccc3)oc2=O)CC1
InChIInChI=1S/C18H22N4O4/c23-17(21-10-12-25-13-11-21)20-8-6-15(7-9-20)22-18(24)26-16(19-22)14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyDJKLTTDJWXBLFG-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.59
Rot. Bonds2

About 3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one

3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 23612551) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
PubChem CID23612551
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=C(N1CCOCC1)N1CCC(n2nc(-c3ccccc3)oc2=O)CC1
InChIInChI=1S/C18H22N4O4/c23-17(21-10-12-25-13-11-21)20-8-6-15(7-9-20)22-18(24)26-16(19-22)14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyDJKLTTDJWXBLFG-UHFFFAOYSA-N
XLogP1.59
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 23612551) is 3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one is O=C(N1CCOCC1)N1CCC(n2nc(-c3ccccc3)oc2=O)CC1.
What is the InChIKey of 3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is DJKLTTDJWXBLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-17(21-10-12-25-13-11-21)20-8-6-15(7-9-20)22-18(24)26-16(19-22)14-4-2-1-3-5-14/h1-5,15H,6-13H2.
What are the key properties of 3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one?
3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 358.40 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 23612551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).