[3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone

C25H27N3O4 — CID 166104915

IUPAC[3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(C2(c3ccccc3)CCOC2)o1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C25H27N3O4/c29-23(28-14-7-8-19(16-28)17-31-21-11-5-2-6-12-21)22-26-27-24(32-22)25(13-15-30-18-25)20-9-3-1-4-10-20/h1-6,9-12,19H,7-8,13-18H2
InChIKeyYAYWHJRNUBKOIG-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.71
Rot. Bonds6

About [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone

[3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 166104915) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name[3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID166104915
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name[3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(C2(c3ccccc3)CCOC2)o1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C25H27N3O4/c29-23(28-14-7-8-19(16-28)17-31-21-11-5-2-6-12-21)22-26-27-24(32-22)25(13-15-30-18-25)20-9-3-1-4-10-20/h1-6,9-12,19H,7-8,13-18H2
InChIKeyYAYWHJRNUBKOIG-UHFFFAOYSA-N
XLogP3.71
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 166104460
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 97156064
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
[1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 166105282
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971189

Frequently Asked Questions

What is the IUPAC name of [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone (CID 166104915) is [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone is O=C(c1nnc(C2(c3ccccc3)CCOC2)o1)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is YAYWHJRNUBKOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-23(28-14-7-8-19(16-28)17-31-21-11-5-2-6-12-21)22-26-27-24(32-22)25(13-15-30-18-25)20-9-3-1-4-10-20/h1-6,9-12,19H,7-8,13-18H2.
What are the key properties of [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone?
[3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 433.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 166104915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).