1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone

C19H19ClN6O — CID 120739238

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C19H19ClN6O/c20-16-9-5-4-8-15(16)17-12-21-10-11-25(17)18(27)13-26-23-19(22-24-26)14-6-2-1-3-7-14/h1-9,17,21H,10-13H2
InChIKeyLVKRAUAZBKKIQQ-UHFFFAOYSA-N
MW382.86 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 120739238) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID120739238
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C19H19ClN6O/c20-16-9-5-4-8-15(16)17-12-21-10-11-25(17)18(27)13-26-23-19(22-24-26)14-6-2-1-3-7-14/h1-9,17,21H,10-13H2
InChIKeyLVKRAUAZBKKIQQ-UHFFFAOYSA-N
XLogP2.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 120880192
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 120738810
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 120739011
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 120739908
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120738581
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 120739364
2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120738669
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone (CID 120739238) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2ccccc2)n1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is LVKRAUAZBKKIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-16-9-5-4-8-15(16)17-12-21-10-11-25(17)18(27)13-26-23-19(22-24-26)14-6-2-1-3-7-14/h1-9,17,21H,10-13H2.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 382.86 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 120739238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).