(4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone

C28H33N3O4 — CID 11627046

IUPAC(4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone
SMILESCC1(C(=O)N2CCOCC2)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
InChIInChI=1S/C28H33N3O4/c1-28(27(33)31-15-17-34-18-16-31)20-25(29-35-28)23-7-9-24(10-8-23)26(32)30-13-11-22(12-14-30)19-21-5-3-2-4-6-21/h2-10,22H,11-20H2,1H3
InChIKeyHRYVMHAZBQBXSN-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.52
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone

(4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone (PubChem CID 11627046) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone
PubChem CID11627046
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name(4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone
SMILESCC1(C(=O)N2CCOCC2)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
InChIInChI=1S/C28H33N3O4/c1-28(27(33)31-15-17-34-18-16-31)20-25(29-35-28)23-7-9-24(10-8-23)26(32)30-13-11-22(12-14-30)19-21-5-3-2-4-6-21/h2-10,22H,11-20H2,1H3
InChIKeyHRYVMHAZBQBXSN-UHFFFAOYSA-N
XLogP3.52
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone (CID 11627046) is (4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone is CC1(C(=O)N2CCOCC2)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone?
The InChIKey is HRYVMHAZBQBXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-28(27(33)31-15-17-34-18-16-31)20-25(29-35-28)23-7-9-24(10-8-23)26(32)30-13-11-22(12-14-30)19-21-5-3-2-4-6-21/h2-10,22H,11-20H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone?
(4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone has a molecular weight of 475.59 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone is sourced from PubChem (CID 11627046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).