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

C24H23N3O3 — CID 53104831

IUPAC(4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCc1c(-c2noc(C(=O)N3CCC(Cc4ccccc4)CC3)n2)oc2ccccc12
InChIInChI=1S/C24H23N3O3/c1-16-19-9-5-6-10-20(19)29-21(16)22-25-23(30-26-22)24(28)27-13-11-18(12-14-27)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3
InChIKeyVTBBZVYEKBBZBV-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.89
Rot. Bonds4

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

(4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 53104831) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone
PubChem CID53104831
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name(4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCc1c(-c2noc(C(=O)N3CCC(Cc4ccccc4)CC3)n2)oc2ccccc12
InChIInChI=1S/C24H23N3O3/c1-16-19-9-5-6-10-20(19)29-21(16)22-25-23(30-26-22)24(28)27-13-11-18(12-14-27)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3
InChIKeyVTBBZVYEKBBZBV-UHFFFAOYSA-N
XLogP4.89
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
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CID 110684703
(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 46516189
(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
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(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
4-(4-benzylpiperidine-1-carbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one
CID 3270418
(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
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CID 78791820
ethyl 4-benzylpiperidine-1-carboxylate
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CID 127122886

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone (CID 53104831) is (4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone is Cc1c(-c2noc(C(=O)N3CCC(Cc4ccccc4)CC3)n2)oc2ccccc12.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is VTBBZVYEKBBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-19-9-5-6-10-20(19)29-21(16)22-25-23(30-26-22)24(28)27-13-11-18(12-14-27)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone?
(4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 53104831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).