2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone

C13H16N4O — CID 863032

IUPAC2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cn1nnc2ccccc21)N1CCCCC1
InChIInChI=1S/C13H16N4O/c18-13(16-8-4-1-5-9-16)10-17-12-7-3-2-6-11(12)14-15-17/h2-3,6-7H,1,4-5,8-10H2
InChIKeyYCOOLZHIOQGRCF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.44
Rot. Bonds2

About 2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone

2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 863032) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone
PubChem CID863032
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cn1nnc2ccccc21)N1CCCCC1
InChIInChI=1S/C13H16N4O/c18-13(16-8-4-1-5-9-16)10-17-12-7-3-2-6-11(12)14-15-17/h2-3,6-7H,1,4-5,8-10H2
InChIKeyYCOOLZHIOQGRCF-UHFFFAOYSA-N
XLogP1.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Benzotriazol-1-ylacetic acid
CID 313450
N-Acetylbenzotriazole
CID 87784
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
3-(Benzotriazol-1-yl)propanehydrazide
CID 949773
3-(1H-benzotriazol-1-yl)propanenitrile
CID 243414
1-Ethylbenzotriazole
CID 27939
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(m-tolyl)acetamide
CID 863021
2-(1H-1,2,3-benzotriazol-1-yl)-1-cyclopropylethanone
CID 698837
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(p-tolyl)acetamide
CID 733624
Benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone
CID 46831765
2-(1H-1,2,3-benzotriazol-1-yl)acetohydrazide
CID 3859328
1H-Benzotriazole-1-carboxaldehyde
CID 576740

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone (CID 863032) is 2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone is O=C(Cn1nnc2ccccc21)N1CCCCC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is YCOOLZHIOQGRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13(16-8-4-1-5-9-16)10-17-12-7-3-2-6-11(12)14-15-17/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone?
2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 244.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 863032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).