3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one

C14H18N4O2 — CID 45271651

IUPAC3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one
SMILESCC1CCCCN1Cn1nc(-c2cccnc2)oc1=O
InChIInChI=1S/C14H18N4O2/c1-11-5-2-3-8-17(11)10-18-14(19)20-13(16-18)12-6-4-7-15-9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3
InChIKeyDEPJOUHZHXCLPK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.73
Rot. Bonds3

About 3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one

3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one (PubChem CID 45271651) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one
PubChem CID45271651
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one
SMILESCC1CCCCN1Cn1nc(-c2cccnc2)oc1=O
InChIInChI=1S/C14H18N4O2/c1-11-5-2-3-8-17(11)10-18-14(19)20-13(16-18)12-6-4-7-15-9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3
InChIKeyDEPJOUHZHXCLPK-UHFFFAOYSA-N
XLogP1.73
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 16668587
4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
CID 11537304
5-pyridin-3-yl-3-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-one
CID 166283493
3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 11936731
5-pyridin-3-yl-3-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
CID 47296146
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 1431926
1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
CID 646582
5-(4-fluorophenyl)-3-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-one
CID 55626885
(2-methylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 22427477
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline
CID 11723421
2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124754849

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one (CID 45271651) is 3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one is CC1CCCCN1Cn1nc(-c2cccnc2)oc1=O.
What is the InChIKey of 3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one?
The InChIKey is DEPJOUHZHXCLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-5-2-3-8-17(11)10-18-14(19)20-13(16-18)12-6-4-7-15-9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3.
What are the key properties of 3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one?
3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 45271651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).