2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone

C21H25N5O — CID 45181686

IUPAC2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
SMILESCN(Cc1ccccc1)C1CCCN(C(=O)Cn2nc3ccccc3n2)C1
InChIInChI=1S/C21H25N5O/c1-24(14-17-8-3-2-4-9-17)18-10-7-13-25(15-18)21(27)16-26-22-19-11-5-6-12-20(19)23-26/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3
InChIKeyAHLZJMWJAGYRBI-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.55
Rot. Bonds5

About 2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone

2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone (PubChem CID 45181686) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
PubChem CID45181686
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
SMILESCN(Cc1ccccc1)C1CCCN(C(=O)Cn2nc3ccccc3n2)C1
InChIInChI=1S/C21H25N5O/c1-24(14-17-8-3-2-4-9-17)18-10-7-13-25(15-18)21(27)16-26-22-19-11-5-6-12-20(19)23-26/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3
InChIKeyAHLZJMWJAGYRBI-UHFFFAOYSA-N
XLogP2.55
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]ethanone
CID 3229070
(1H-benzo(d)(1,2,3)triazol-1-yl)(4-benzylpiperazin-1-yl)methanone
CID 66683014
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[4-(5-fluoro-benzotriazol-1-yl)-piperidin-1-yl]-ethanone
CID 650975
3-Benzotriazol-1-yl-1-(4-phenyl-piperazin-1-yl)-propan-1-one
CID 653134
Cyclohexyl-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-methanone
CID 654720
2-(1H-1,2,3-benzotriazol-1-yl)-N-benzylacetamide
CID 733623
2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-o-tolyl-acetamide
CID 1469608
2-(1H-1,2,3-benzotriazol-1-yl)-N'-[4-(dimethylamino)benzylidene]acetohydrazide
CID 9557234
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(benzotriazol-2-yl)acetamide
CID 10711306
benzotriazol-1-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 71460499
Benzotriazol-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 71462206
2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide
CID 156907082

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone (CID 45181686) is 2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone is CN(Cc1ccccc1)C1CCCN(C(=O)Cn2nc3ccccc3n2)C1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone?
The InChIKey is AHLZJMWJAGYRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-24(14-17-8-3-2-4-9-17)18-10-7-13-25(15-18)21(27)16-26-22-19-11-5-6-12-20(19)23-26/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone?
2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone has a molecular weight of 363.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1-[3-[benzyl(methyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 45181686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).