2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

C14H18N4O2 — CID 166227750

IUPAC2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)Cn2nnc3ccccc32)CCC1O
InChIInChI=1S/C14H18N4O2/c1-10-8-17(7-6-13(10)19)14(20)9-18-12-5-3-2-4-11(12)15-16-18/h2-5,10,13,19H,6-9H2,1H3
InChIKeySLCHPOPICSCQCA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.66
Rot. Bonds2

About 2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 166227750) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
PubChem CID166227750
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)Cn2nnc3ccccc32)CCC1O
InChIInChI=1S/C14H18N4O2/c1-10-8-17(7-6-13(10)19)14(20)9-18-12-5-3-2-4-11(12)15-16-18/h2-5,10,13,19H,6-9H2,1H3
InChIKeySLCHPOPICSCQCA-UHFFFAOYSA-N
XLogP0.66
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-1-(4-methyl-3-phenylpiperidin-1-yl)ethanone
CID 166349781
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 154795469
1-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)-2-(benzotriazol-1-yl)ethanone
CID 166245049
1-[(4S,5S)-4-(4-acetylpiperazin-1-yl)-5-hydroxyazepan-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 110164424
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
2-(benzotriazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 46958886
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677
2-(benzotriazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]ethanone
CID 90587816
(3S)-1-[2-(benzotriazol-1-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 94366754
2-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447071
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 114680383
2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124958322

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (CID 166227750) is 2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is CC1CN(C(=O)Cn2nnc3ccccc32)CCC1O.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is SLCHPOPICSCQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-8-17(7-6-13(10)19)14(20)9-18-12-5-3-2-4-11(12)15-16-18/h2-5,10,13,19H,6-9H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 274.32 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 166227750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).