5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

C11H18ClN3O — CID 156745989

IUPAC5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCC1(c2noc(C3CC3)n2)CCNCC1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-11(4-6-12-7-5-11)10-13-9(15-14-10)8-2-3-8;/h8,12H,2-7H2,1H3;1H
InChIKeyPEIGOYBFOLNJBI-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.01
Rot. Bonds2

About 5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 156745989) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID156745989
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCC1(c2noc(C3CC3)n2)CCNCC1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-11(4-6-12-7-5-11)10-13-9(15-14-10)8-2-3-8;/h8,12H,2-7H2,1H3;1H
InChIKeyPEIGOYBFOLNJBI-UHFFFAOYSA-N
XLogP2.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;iodomethane
CID 165104498
5-(2,2-dimethylcyclopropyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 166141411
3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115032883
3-(1-methylcyclopentyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115041080
5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole
CID 171326301
5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 167027018
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539
3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115033888
3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (CID 156745989) is 5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is CC1(c2noc(C3CC3)n2)CCNCC1.Cl.
What is the InChIKey of 5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is PEIGOYBFOLNJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-11(4-6-12-7-5-11)10-13-9(15-14-10)8-2-3-8;/h8,12H,2-7H2,1H3;1H.
What are the key properties of 5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 156745989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).