2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

C12H19N3O — CID 47704698

IUPAC2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC1CCCCN1Cc1nnc(C2CC2)o1
InChIInChI=1S/C12H19N3O/c1-9-4-2-3-7-15(9)8-11-13-14-12(16-11)10-5-6-10/h9-10H,2-8H2,1H3
InChIKeyKXETYWBEJFHJGM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.32
Rot. Bonds3

About 2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 47704698) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID47704698
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC1CCCCN1Cc1nnc(C2CC2)o1
InChIInChI=1S/C12H19N3O/c1-9-4-2-3-7-15(9)8-11-13-14-12(16-11)10-5-6-10/h9-10H,2-8H2,1H3
InChIKeyKXETYWBEJFHJGM-UHFFFAOYSA-N
XLogP2.32
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 47704698) is 2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is CC1CCCCN1Cc1nnc(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is KXETYWBEJFHJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-4-2-3-7-15(9)8-11-13-14-12(16-11)10-5-6-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 47704698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).