3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole

C12H19N3O — CID 166250872

IUPAC3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESC1CCN(Cc2nc(CC3CC3)no2)CC1
InChIInChI=1S/C12H19N3O/c1-2-6-15(7-3-1)9-12-13-11(14-16-12)8-10-4-5-10/h10H,1-9H2
InChIKeyPYVZMQRHIYYKCN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds4

About 3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole

3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 166250872) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID166250872
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESC1CCN(Cc2nc(CC3CC3)no2)CC1
InChIInChI=1S/C12H19N3O/c1-2-6-15(7-3-1)9-12-13-11(14-16-12)8-10-4-5-10/h10H,1-9H2
InChIKeyPYVZMQRHIYYKCN-UHFFFAOYSA-N
XLogP2.01
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol
CID 25385068
3-(cyclopropylmethyl)-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45214637
3-(oxolan-3-ylmethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 103985827
3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45212571
3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
3-benzyl-5-[[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 164639430
3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 59657770
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
5-(azepan-1-ylmethyl)-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86916726
3-ethyl-5-[[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126427715
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole (CID 166250872) is 3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole is C1CCN(Cc2nc(CC3CC3)no2)CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is PYVZMQRHIYYKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-6-15(7-3-1)9-12-13-11(14-16-12)8-10-4-5-10/h10H,1-9H2.
What are the key properties of 3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166250872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).