[1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C25H27N3O3 — CID 91888839

IUPAC[1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2)cc1
InChIInChI=1S/C25H27N3O3/c1-30-21-9-7-20(8-10-21)25(13-14-25)24(29)28-15-11-18(12-16-28)17-22-26-23(27-31-22)19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3
InChIKeyDNIIKHSPAMKJEO-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.26
Rot. Bonds6

About [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

[1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91888839) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID91888839
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name[1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2)cc1
InChIInChI=1S/C25H27N3O3/c1-30-21-9-7-20(8-10-21)25(13-14-25)24(29)28-15-11-18(12-16-28)17-22-26-23(27-31-22)19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3
InChIKeyDNIIKHSPAMKJEO-UHFFFAOYSA-N
XLogP4.26
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 91888839) is [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is COc1ccc(C2(C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is DNIIKHSPAMKJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-21-9-7-20(8-10-21)25(13-14-25)24(29)28-15-11-18(12-16-28)17-22-26-23(27-31-22)19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
[1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 417.51 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopropyl]-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91888839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).