[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone

C17H23N5O3 — CID 129346901

IUPAC[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
SMILESCc1noc([C@H]2CN(C(=O)c3ncccc3OC(C)C)CCN2C)n1
InChIInChI=1S/C17H23N5O3/c1-11(2)24-14-6-5-7-18-15(14)17(23)22-9-8-21(4)13(10-22)16-19-12(3)20-25-16/h5-7,11,13H,8-10H2,1-4H3/t13-/m1/s1
InChIKeyHWEJAIFNCATJHO-CYBMUJFWSA-N
MW345.40 g/mol
LogP1.69
Rot. Bonds4

About [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone

[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone (PubChem CID 129346901) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
PubChem CID129346901
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
SMILESCc1noc([C@H]2CN(C(=O)c3ncccc3OC(C)C)CCN2C)n1
InChIInChI=1S/C17H23N5O3/c1-11(2)24-14-6-5-7-18-15(14)17(23)22-9-8-21(4)13(10-22)16-19-12(3)20-25-16/h5-7,11,13H,8-10H2,1-4H3/t13-/m1/s1
InChIKeyHWEJAIFNCATJHO-CYBMUJFWSA-N
XLogP1.69
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 129346829
[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 129483592
[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129491549
(3,4-dimethoxyphenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129346897
(3,5-difluoro-2-pyridinyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484206
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 110023160
(3-methylfuran-2-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482631
(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482466
[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 129491565
(4-fluoro-2-methylphenyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129491580
3-(2-fluorophenoxy)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 129482755
(3-chloro-2-fluorophenyl)-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 128981776

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone?
The IUPAC name of [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone (CID 129346901) is [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone.
What is the SMILES notation for [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone?
The canonical SMILES for [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone is Cc1noc([C@H]2CN(C(=O)c3ncccc3OC(C)C)CCN2C)n1.
What is the InChIKey of [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone?
The InChIKey is HWEJAIFNCATJHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11(2)24-14-6-5-7-18-15(14)17(23)22-9-8-21(4)13(10-22)16-19-12(3)20-25-16/h5-7,11,13H,8-10H2,1-4H3/t13-/m1/s1.
What are the key properties of [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone?
[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone has a molecular weight of 345.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone is sourced from PubChem (CID 129346901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).