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

C14H18N4O — CID 863054

IUPAC2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2nnc3ccccc32)CC1
InChIInChI=1S/C14H18N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5,11H,6-10H2,1H3
InChIKeyCTUYCKVPYLPOTM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.69
Rot. Bonds2

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

2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 863054) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID863054
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2nnc3ccccc32)CC1
InChIInChI=1S/C14H18N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5,11H,6-10H2,1H3
InChIKeyCTUYCKVPYLPOTM-UHFFFAOYSA-N
XLogP1.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone (CID 863054) is 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cn2nnc3ccccc32)CC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is CTUYCKVPYLPOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 1.69, 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-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 863054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).