2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone

C15H20N4O2 — CID 25369196

IUPAC2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)COn2nnc3ccccc32)C1
InChIInChI=1S/C15H20N4O2/c1-11-7-12(2)9-18(8-11)15(20)10-21-19-14-6-4-3-5-13(14)16-17-19/h3-6,11-12H,7-10H2,1-2H3/t11-,12+
InChIKeyLFKWYKCMEPUYTC-TXEJJXNPSA-N
MW288.35 g/mol
LogP1.36
Rot. Bonds3

About 2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone

2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone (PubChem CID 25369196) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
PubChem CID25369196
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)COn2nnc3ccccc32)C1
InChIInChI=1S/C15H20N4O2/c1-11-7-12(2)9-18(8-11)15(20)10-21-19-14-6-4-3-5-13(14)16-17-19/h3-6,11-12H,7-10H2,1-2H3/t11-,12+
InChIKeyLFKWYKCMEPUYTC-TXEJJXNPSA-N
XLogP1.36
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yloxy)-N-(cyclohexylmethyl)acetamide
CID 2128755
2-(Benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone
CID 2517869
2-(Benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 4538719
tert-butyl N-[3-[[2-(benzotriazol-1-yloxy)acetyl]amino]propyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 132495289
tert-butyl N-[3-[[2-(benzotriazol-1-yloxy)acetyl]-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propyl]carbamate
CID 132495291
N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride
CID 134137183
tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 134149398
N-[3-(4-aminobutylamino)propyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134156834
2-(Benzotriazol-2-yl)-1-morpholino-ethanone
CID 125492228
N-(4-aminobutyl)-N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134134296
N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134134597
tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate
CID 134139676

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone (CID 25369196) is 2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone is C[C@@H]1C[C@H](C)CN(C(=O)COn2nnc3ccccc32)C1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?
The InChIKey is LFKWYKCMEPUYTC-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-7-12(2)9-18(8-11)15(20)10-21-19-14-6-4-3-5-13(14)16-17-19/h3-6,11-12H,7-10H2,1-2H3/t11-,12+.
What are the key properties of 2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?
2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone has a molecular weight of 288.35 g/mol, XLogP of 1.36, 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-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 25369196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).