2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone

C19H20ClN5O2 — CID 22265230

IUPAC2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(COn1nnc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN5O2/c20-16-7-5-15(6-8-16)13-23-9-11-24(12-10-23)19(26)14-27-25-18-4-2-1-3-17(18)21-22-25/h1-8H,9-14H2
InChIKeyBQOJVVVVNKSYLG-UHFFFAOYSA-N
MW385.86 g/mol
LogP1.86
Rot. Bonds5

About 2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone

2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 22265230) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
PubChem CID22265230
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(COn1nnc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN5O2/c20-16-7-5-15(6-8-16)13-23-9-11-24(12-10-23)19(26)14-27-25-18-4-2-1-3-17(18)21-22-25/h1-8H,9-14H2
InChIKeyBQOJVVVVNKSYLG-UHFFFAOYSA-N
XLogP1.86
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 7668572
2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 25369196
2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19323586
1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone
CID 7696725
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 22265251
benzotriazol-1-yl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 66683053
2-(4-chloronaphthalen-1-yl)oxy-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 54158634
2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22263702
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
ethyl 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoate
CID 22264628
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,3,6-trichlorophenoxy)ethanone
CID 22264131
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone
CID 22264482

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone (CID 22265230) is 2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone is O=C(COn1nnc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is BQOJVVVVNKSYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-16-7-5-15(6-8-16)13-23-9-11-24(12-10-23)19(26)14-27-25-18-4-2-1-3-17(18)21-22-25/h1-8H,9-14H2.
What are the key properties of 2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone?
2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 385.86 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 22265230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).