cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C16H23N3O2 — CID 124737955

IUPACcyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCC1(C)C[C@@H]1c1noc([C@H]2CCCN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C16H23N3O2/c1-16(2)8-12(16)13-17-14(21-18-13)11-4-3-7-19(9-11)15(20)10-5-6-10/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyQKUYTQWCWVJLMU-NWDGAFQWSA-N
MW289.38 g/mol
LogP2.70
Rot. Bonds3

About cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 124737955) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID124737955
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namecyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCC1(C)C[C@@H]1c1noc([C@H]2CCCN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C16H23N3O2/c1-16(2)8-12(16)13-17-14(21-18-13)11-4-3-7-19(9-11)15(20)10-5-6-10/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyQKUYTQWCWVJLMU-NWDGAFQWSA-N
XLogP2.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 3294167
[3-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 119034022
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94208001
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459
cyclopropyl-[3-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 127868766
(4R)-1-cyclopropyl-4-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 94526728
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 68924485
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119343470
cis-(1R,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131675
trans-(1S,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131677

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 124737955) is cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is CC1(C)C[C@@H]1c1noc([C@H]2CCCN(C(=O)C3CC3)C2)n1.
What is the InChIKey of cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is QKUYTQWCWVJLMU-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2)8-12(16)13-17-14(21-18-13)11-4-3-7-19(9-11)15(20)10-5-6-10/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124737955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).