2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide

C15H21N5O — CID 10379321

IUPAC2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCN1CCCCC1
InChIInChI=1S/C15H21N5O/c21-15(16-8-11-19-9-4-1-5-10-19)12-20-14-7-3-2-6-13(14)17-18-20/h2-3,6-7H,1,4-5,8-12H2,(H,16,21)
InChIKeyFQPRBYQFUKKPIX-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.03
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide

2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 10379321) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID10379321
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCN1CCCCC1
InChIInChI=1S/C15H21N5O/c21-15(16-8-11-19-9-4-1-5-10-19)12-20-14-7-3-2-6-13(14)17-18-20/h2-3,6-7H,1,4-5,8-12H2,(H,16,21)
InChIKeyFQPRBYQFUKKPIX-UHFFFAOYSA-N
XLogP1.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide (CID 10379321) is 2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide is O=C(Cn1nnc2ccccc21)NCCN1CCCCC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is FQPRBYQFUKKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-15(16-8-11-19-9-4-1-5-10-19)12-20-14-7-3-2-6-13(14)17-18-20/h2-3,6-7H,1,4-5,8-12H2,(H,16,21).
What are the key properties of 2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide?
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 10379321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).