2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C17H27N5O2 — CID 75463489

IUPAC2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(Cc2nnc(C3CCC3)o2)CC1)N1CCCC1
InChIInChI=1S/C17H27N5O2/c23-16(22-6-1-2-7-22)13-21-10-8-20(9-11-21)12-15-18-19-17(24-15)14-4-3-5-14/h14H,1-13H2
InChIKeyPIZNCSXCGREOSV-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 75463489) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID75463489
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(Cc2nnc(C3CCC3)o2)CC1)N1CCCC1
InChIInChI=1S/C17H27N5O2/c23-16(22-6-1-2-7-22)13-21-10-8-20(9-11-21)12-15-18-19-17(24-15)14-4-3-5-14/h14H,1-13H2
InChIKeyPIZNCSXCGREOSV-UHFFFAOYSA-N
XLogP1.08
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 75463489) is 2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(Cc2nnc(C3CCC3)o2)CC1)N1CCCC1.
What is the InChIKey of 2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is PIZNCSXCGREOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c23-16(22-6-1-2-7-22)13-21-10-8-20(9-11-21)12-15-18-19-17(24-15)14-4-3-5-14/h14H,1-13H2.
What are the key properties of 2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 333.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 75463489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).