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

C16H20N4O3 — CID 94526596

IUPAC(6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cn1
InChIInChI=1S/C16H20N4O3/c1-3-22-14-7-6-12(9-17-14)16(21)20-8-4-5-13(10-20)15-18-11(2)19-23-15/h6-7,9,13H,3-5,8,10H2,1-2H3/t13-/m0/s1
InChIKeyOFDPWKBVRWMGHB-ZDUSSCGKSA-N
MW316.36 g/mol
LogP2.19
Rot. Bonds4

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

(6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 94526596) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID94526596
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cn1
InChIInChI=1S/C16H20N4O3/c1-3-22-14-7-6-12(9-17-14)16(21)20-8-4-5-13(10-20)15-18-11(2)19-23-15/h6-7,9,13H,3-5,8,10H2,1-2H3/t13-/m0/s1
InChIKeyOFDPWKBVRWMGHB-ZDUSSCGKSA-N
XLogP2.19
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(6-ethoxy-3-pyridinyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526598
(6-methoxy-3-pyridinyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 154737928
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
(5-bromo-3-pyridinyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51120868
(6-ethoxy-3-pyridinyl)-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99876631
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091
(3-methoxy-4-methylphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346819
(3-methoxy-4-methylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346818
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
[(3R)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 1456451
[(3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 1456452

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 94526596) is (6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cn1.
What is the InChIKey of (6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is OFDPWKBVRWMGHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-22-14-7-6-12(9-17-14)16(21)20-8-4-5-13(10-20)15-18-11(2)19-23-15/h6-7,9,13H,3-5,8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 316.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 94526596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).