2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone

C19H20ClN5O — CID 19323586

IUPAC2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(Cn1nnc2ccccc21)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN5O/c20-16-5-3-4-15(12-16)13-23-8-10-24(11-9-23)19(26)14-25-18-7-2-1-6-17(18)21-22-25/h1-7,12H,8-11,13-14H2
InChIKeyWKCSYTOOCYYQKI-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.43
Rot. Bonds4

About 2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone

2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 19323586) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone
PubChem CID19323586
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(Cn1nnc2ccccc21)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN5O/c20-16-5-3-4-15(12-16)13-23-8-10-24(11-9-23)19(26)14-25-18-7-2-1-6-17(18)21-22-25/h1-7,12H,8-11,13-14H2
InChIKeyWKCSYTOOCYYQKI-UHFFFAOYSA-N
XLogP2.43
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 9092832
2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485579
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19323616
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 55411399
2-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447071
2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22265230
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19531525
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 19527789
4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119832689
3-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one
CID 26787483
N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55928827

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone (CID 19323586) is 2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone is O=C(Cn1nnc2ccccc21)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is WKCSYTOOCYYQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-16-5-3-4-15(12-16)13-23-8-10-24(11-9-23)19(26)14-25-18-7-2-1-6-17(18)21-22-25/h1-7,12H,8-11,13-14H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone?
2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 369.86 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 19323586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).