2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one

C15H23N3O2 — CID 79553266

IUPAC2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCc1nonc1CN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C15H23N3O2/c1-11-13(17-20-16-11)10-18-9-5-4-7-14(18)12-6-2-3-8-15(12)19/h12,14H,2-10H2,1H3
InChIKeyJAYAJSGACNLRTF-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.49
Rot. Bonds3

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

2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one (PubChem CID 79553266) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
PubChem CID79553266
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCc1nonc1CN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C15H23N3O2/c1-11-13(17-20-16-11)10-18-9-5-4-7-14(18)12-6-2-3-8-15(12)19/h12,14H,2-10H2,1H3
InChIKeyJAYAJSGACNLRTF-UHFFFAOYSA-N
XLogP2.49
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549497
2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79540355
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544103
[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637251
2-[1-(cyclobutylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553179
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545540
2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553267
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 82866936
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545015
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one
CID 79429298
2-[1-(2-methoxyethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553024
2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
CID 79553644

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one (CID 79553266) is 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one is Cc1nonc1CN1CCCCC1C1CCCCC1=O.
What is the InChIKey of 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The InChIKey is JAYAJSGACNLRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-13(17-20-16-11)10-18-9-5-4-7-14(18)12-6-2-3-8-15(12)19/h12,14H,2-10H2,1H3.
What are the key properties of 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one has a molecular weight of 277.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79553266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).