1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone

C15H18N4O3 — CID 75538435

IUPAC1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
SMILESO=C(COCc1nc(-c2cccnc2)no1)N1CCCCC1
InChIInChI=1S/C15H18N4O3/c20-14(19-7-2-1-3-8-19)11-21-10-13-17-15(18-22-13)12-5-4-6-16-9-12/h4-6,9H,1-3,7-8,10-11H2
InChIKeyKSAIGVCDQHCXSF-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.66
Rot. Bonds5

About 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone

1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone (PubChem CID 75538435) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
PubChem CID75538435
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
SMILESO=C(COCc1nc(-c2cccnc2)no1)N1CCCCC1
InChIInChI=1S/C15H18N4O3/c20-14(19-7-2-1-3-8-19)11-21-10-13-17-15(18-22-13)12-5-4-6-16-9-12/h4-6,9H,1-3,7-8,10-11H2
InChIKeyKSAIGVCDQHCXSF-UHFFFAOYSA-N
XLogP1.66
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone with MolForge

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Launch Full Analysis

Related Compounds

azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 55622804
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55486899
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 97457797
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-piperidin-1-ylbenzoate
CID 29491110
1-morpholin-4-yl-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 55478105
3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 46988239
1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
CID 75538362
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55623292
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 55641277

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone (CID 75538435) is 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone is O=C(COCc1nc(-c2cccnc2)no1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The InChIKey is KSAIGVCDQHCXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-14(19-7-2-1-3-8-19)11-21-10-13-17-15(18-22-13)12-5-4-6-16-9-12/h4-6,9H,1-3,7-8,10-11H2.
What are the key properties of 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone has a molecular weight of 302.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone is sourced from PubChem (CID 75538435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).