[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone

C17H22N4O3 — CID 146122533

IUPAC[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
SMILESCc1noc(C2CCCN(C(=O)c3cccc(OC(C)C)n3)C2)n1
InChIInChI=1S/C17H22N4O3/c1-11(2)23-15-8-4-7-14(19-15)17(22)21-9-5-6-13(10-21)16-18-12(3)20-24-16/h4,7-8,11,13H,5-6,9-10H2,1-3H3
InChIKeyHNDKKHFLMVHAMG-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.58
Rot. Bonds4

About [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone

[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone (PubChem CID 146122533) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
PubChem CID146122533
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
SMILESCc1noc(C2CCCN(C(=O)c3cccc(OC(C)C)n3)C2)n1
InChIInChI=1S/C17H22N4O3/c1-11(2)23-15-8-4-7-14(19-15)17(22)21-9-5-6-13(10-21)16-18-12(3)20-24-16/h4,7-8,11,13H,5-6,9-10H2,1-3H3
InChIKeyHNDKKHFLMVHAMG-UHFFFAOYSA-N
XLogP2.58
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 118780101
[2-(difluoromethoxy)phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51087839
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 129346829
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824398
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119112368
(6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526596
(6-ethoxy-3-pyridinyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526598
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866

Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone?
The IUPAC name of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone (CID 146122533) is [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone.
What is the SMILES notation for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone?
The canonical SMILES for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone is Cc1noc(C2CCCN(C(=O)c3cccc(OC(C)C)n3)C2)n1.
What is the InChIKey of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone?
The InChIKey is HNDKKHFLMVHAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)23-15-8-4-7-14(19-15)17(22)21-9-5-6-13(10-21)16-18-12(3)20-24-16/h4,7-8,11,13H,5-6,9-10H2,1-3H3.
What are the key properties of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone?
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone has a molecular weight of 330.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone is sourced from PubChem (CID 146122533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).