2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole

C10H17N3O — CID 96656863

IUPAC2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc([C@H]2CCCNC2)o1
InChIInChI=1S/C10H17N3O/c1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyUNVJLDQRNKOVPP-QMMMGPOBSA-N
MW195.27 g/mol
LogP1.66
Rot. Bonds2

About 2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole

2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 96656863) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID96656863
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc([C@H]2CCCNC2)o1
InChIInChI=1S/C10H17N3O/c1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyUNVJLDQRNKOVPP-QMMMGPOBSA-N
XLogP1.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-3-yl-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82473056
5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 82668755
N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456060
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84666395
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
CID 105464818
2-(azepan-3-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 84688684
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole
CID 5255005
3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 124952637
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 124956744
4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole
CID 139565549

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 96656863) is 2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc([C@H]2CCCNC2)o1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is UNVJLDQRNKOVPP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 96656863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).