(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

C23H25N3O3 — CID 46516189

IUPAC(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCc1nc(COc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)no1
InChIInChI=1S/C23H25N3O3/c1-17-24-22(25-29-17)16-28-21-9-7-20(8-10-21)23(27)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
InChIKeyQFVOHQAAUZKCBZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.05
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (PubChem CID 46516189) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
PubChem CID46516189
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCc1nc(COc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)no1
InChIInChI=1S/C23H25N3O3/c1-17-24-22(25-29-17)16-28-21-9-7-20(8-10-21)23(27)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
InChIKeyQFVOHQAAUZKCBZ-UHFFFAOYSA-N
XLogP4.05
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 55590615
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 55586338
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 16595051
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55494322
tert-butyl 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazine-1-carboxylate
CID 31122195
(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19486314
N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 55818555
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(2,4-dimethylpiperazin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 71877224
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55499668
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55633954

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (CID 46516189) is (4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is Cc1nc(COc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)no1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The InChIKey is QFVOHQAAUZKCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-24-22(25-29-17)16-28-21-9-7-20(8-10-21)23(27)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone has a molecular weight of 391.47 g/mol, XLogP of 4.05, 6 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-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 46516189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).