[4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone

C22H22ClN5O — CID 42291922

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone
SMILESO=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H22ClN5O/c23-19-9-4-10-20(16-19)26-12-14-27(15-13-26)22(29)21-17-28(25-24-21)11-5-8-18-6-2-1-3-7-18/h1-10,16-17H,11-15H2/b8-5+
InChIKeySHUVQIFSCJVSTI-VMPITWQZSA-N
MW407.91 g/mol
LogP3.61
Rot. Bonds5

About [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone (PubChem CID 42291922) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone
PubChem CID42291922
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone
SMILESO=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H22ClN5O/c23-19-9-4-10-20(16-19)26-12-14-27(15-13-26)22(29)21-17-28(25-24-21)11-5-8-18-6-2-1-3-7-18/h1-10,16-17H,11-15H2/b8-5+
InChIKeySHUVQIFSCJVSTI-VMPITWQZSA-N
XLogP3.61
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone with MolForge

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Related Compounds

(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride
CID 142648065
4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903340
4-[1-[(3-chlorophenyl)methyl]triazole-4-carbonyl]-1-phenylpiperazin-2-one
CID 25453569
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610
(E)-3-(3-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
CID 6058638
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910
(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109216106
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 35295381
azepan-1-yl-[1-(3-chlorophenyl)triazol-4-yl]methanone
CID 20973782
(E)-3-(4-aminophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 84552178
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone (CID 42291922) is [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone is O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone?
The InChIKey is SHUVQIFSCJVSTI-VMPITWQZSA-N. The full InChI is InChI=1S/C22H22ClN5O/c23-19-9-4-10-20(16-19)26-12-14-27(15-13-26)22(29)21-17-28(25-24-21)11-5-8-18-6-2-1-3-7-18/h1-10,16-17H,11-15H2/b8-5+.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone has a molecular weight of 407.91 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone is sourced from PubChem (CID 42291922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).