5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole

C12H21N3O — CID 63138132

IUPAC5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(C2(C)CCCNC2)n1
InChIInChI=1S/C12H21N3O/c1-9(2)7-10-14-11(16-15-10)12(3)5-4-6-13-8-12/h9,13H,4-8H2,1-3H3
InChIKeyBNDPQHWGMPLNLQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.91
Rot. Bonds3

About 5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole

5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 63138132) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID63138132
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(C2(C)CCCNC2)n1
InChIInChI=1S/C12H21N3O/c1-9(2)7-10-14-11(16-15-10)12(3)5-4-6-13-8-12/h9,13H,4-8H2,1-3H3
InChIKeyBNDPQHWGMPLNLQ-UHFFFAOYSA-N
XLogP1.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfanylmethyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65141422
3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145186
3-[(3-bromophenyl)methyl]-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63138181
1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161289
3-[(3-methylphenyl)sulfanylmethyl]-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 66111772
3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116704241
3-[2-(2,2-difluoroethoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 103146225
3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950434
3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116740897
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743346
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330606

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole (CID 63138132) is 5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole is CC(C)Cc1noc(C2(C)CCCNC2)n1.
What is the InChIKey of 5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is BNDPQHWGMPLNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)7-10-14-11(16-15-10)12(3)5-4-6-13-8-12/h9,13H,4-8H2,1-3H3.
What are the key properties of 5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole?
5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 223.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63138132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).