1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride

C11H18ClN3O3 — CID 71090542

IUPAC1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride
SMILESCC(C)(C(=O)Oc1nnco1)N1CCCCC1.Cl
InChIInChI=1S/C11H17N3O3.ClH/c1-11(2,14-6-4-3-5-7-14)9(15)17-10-13-12-8-16-10;/h8H,3-7H2,1-2H3;1H
InChIKeyXDVHGVDNZQJROX-UHFFFAOYSA-N
MW275.74 g/mol
LogP1.66
Rot. Bonds3

About 1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride

1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride (PubChem CID 71090542) has the molecular formula C11H18ClN3O3 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride.

Molecular Properties

Compound Name1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride
PubChem CID71090542
Molecular FormulaC11H18ClN3O3
Molecular Weight275.74 g/mol
Exact Mass275.10
IUPAC Name1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride
SMILESCC(C)(C(=O)Oc1nnco1)N1CCCCC1.Cl
InChIInChI=1S/C11H17N3O3.ClH/c1-11(2,14-6-4-3-5-7-14)9(15)17-10-13-12-8-16-10;/h8H,3-7H2,1-2H3;1H
InChIKeyXDVHGVDNZQJROX-UHFFFAOYSA-N
XLogP1.66
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride?
The IUPAC name of 1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride (CID 71090542) is 1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride.
What is the SMILES notation for 1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride?
The canonical SMILES for 1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride is CC(C)(C(=O)Oc1nnco1)N1CCCCC1.Cl.
What is the InChIKey of 1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride?
The InChIKey is XDVHGVDNZQJROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3.ClH/c1-11(2,14-6-4-3-5-7-14)9(15)17-10-13-12-8-16-10;/h8H,3-7H2,1-2H3;1H.
What are the key properties of 1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride?
1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride has a molecular weight of 275.74 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride is sourced from PubChem (CID 71090542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).