cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C17H20N4O2 — CID 127244442

IUPACcyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2nnc(C3CCCCN3C(=O)C3CC3)o2)cn1
InChIInChI=1S/C17H20N4O2/c1-11-5-6-13(10-18-11)15-19-20-16(23-15)14-4-2-3-9-21(14)17(22)12-7-8-12/h5-6,10,12,14H,2-4,7-9H2,1H3
InChIKeyDSOSBBFDCDDDLW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.90
Rot. Bonds3

About cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 127244442) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID127244442
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namecyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2nnc(C3CCCCN3C(=O)C3CC3)o2)cn1
InChIInChI=1S/C17H20N4O2/c1-11-5-6-13(10-18-11)15-19-20-16(23-15)14-4-2-3-9-21(14)17(22)12-7-8-12/h5-6,10,12,14H,2-4,7-9H2,1H3
InChIKeyDSOSBBFDCDDDLW-UHFFFAOYSA-N
XLogP2.90
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 127244442) is cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is Cc1ccc(-c2nnc(C3CCCCN3C(=O)C3CC3)o2)cn1.
What is the InChIKey of cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is DSOSBBFDCDDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-5-6-13(10-18-11)15-19-20-16(23-15)14-4-2-3-9-21(14)17(22)12-7-8-12/h5-6,10,12,14H,2-4,7-9H2,1H3.
What are the key properties of cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 127244442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).