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

C15H24N4O2 — CID 124956744

IUPAC1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](c2nnc([C@H]3CCCNC3)o2)C1
InChIInChI=1S/C15H24N4O2/c1-2-13(20)19-8-4-6-12(10-19)15-18-17-14(21-15)11-5-3-7-16-9-11/h11-12,16H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyFTVYUPYYVVVKCK-RYUDHWBXSA-N
MW292.38 g/mol
LogP1.65
Rot. Bonds3

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

1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 124956744) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID124956744
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](c2nnc([C@H]3CCCNC3)o2)C1
InChIInChI=1S/C15H24N4O2/c1-2-13(20)19-8-4-6-12(10-19)15-18-17-14(21-15)11-5-3-7-16-9-11/h11-12,16H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyFTVYUPYYVVVKCK-RYUDHWBXSA-N
XLogP1.65
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793037
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-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
CID 105464818
2-piperidin-3-yl-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82473056
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84666395
1-[(3R)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 99963843
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119399723
2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 82668755
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one (CID 124956744) is 1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H](c2nnc([C@H]3CCCNC3)o2)C1.
What is the InChIKey of 1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is FTVYUPYYVVVKCK-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-13(20)19-8-4-6-12(10-19)15-18-17-14(21-15)11-5-3-7-16-9-11/h11-12,16H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of 1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124956744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).