2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone

C14H18N4O2 — CID 13101377

IUPAC2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)COn2nnc3ccccc32)C1
InChIInChI=1S/C14H18N4O2/c1-11-5-4-8-17(9-11)14(19)10-20-18-13-7-3-2-6-12(13)15-16-18/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyOUESEUVVOOSSLI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.12
Rot. Bonds3

About 2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone

2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 13101377) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID13101377
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)COn2nnc3ccccc32)C1
InChIInChI=1S/C14H18N4O2/c1-11-5-4-8-17(9-11)14(19)10-20-18-13-7-3-2-6-12(13)15-16-18/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyOUESEUVVOOSSLI-UHFFFAOYSA-N
XLogP1.12
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 25369196
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[(3R)-3-methylpiperidin-1-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
CID 26550314
2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22265230
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 17413749
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009944
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone (CID 13101377) is 2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)COn2nnc3ccccc32)C1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is OUESEUVVOOSSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-5-4-8-17(9-11)14(19)10-20-18-13-7-3-2-6-12(13)15-16-18/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone?
2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 274.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 13101377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).