(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone

C25H28N4O3 — CID 127031339

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1nnc(-c2ccccc2)o1)N1CCC(Oc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C25H28N4O3/c30-25(24-27-26-23(32-24)20-6-2-1-3-7-20)29-16-12-22(13-17-29)31-21-10-8-19(9-11-21)18-28-14-4-5-15-28/h1-3,6-11,22H,4-5,12-18H2
InChIKeyGVNDNPHFZXUQIN-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.02
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone

(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 127031339) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
PubChem CID127031339
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1nnc(-c2ccccc2)o1)N1CCC(Oc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C25H28N4O3/c30-25(24-27-26-23(32-24)20-6-2-1-3-7-20)29-16-12-22(13-17-29)31-21-10-8-19(9-11-21)18-28-14-4-5-15-28/h1-3,6-11,22H,4-5,12-18H2
InChIKeyGVNDNPHFZXUQIN-UHFFFAOYSA-N
XLogP4.02
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone (CID 127031339) is (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone is O=C(c1nnc(-c2ccccc2)o1)N1CCC(Oc2ccc(CN3CCCC3)cc2)CC1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is GVNDNPHFZXUQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-25(24-27-26-23(32-24)20-6-2-1-3-7-20)29-16-12-22(13-17-29)31-21-10-8-19(9-11-21)18-28-14-4-5-15-28/h1-3,6-11,22H,4-5,12-18H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 432.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 127031339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).