[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone

C18H20ClN5O — CID 109272206

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
SMILESC=CCNc1cnc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C18H20ClN5O/c1-2-6-20-17-13-21-16(12-22-17)18(25)24-9-7-23(8-10-24)15-5-3-4-14(19)11-15/h2-5,11-13H,1,6-10H2,(H,20,22)
InChIKeyGMJNOXOMTQTLKI-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.69
Rot. Bonds5

About [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone (PubChem CID 109272206) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
PubChem CID109272206
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
SMILESC=CCNc1cnc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C18H20ClN5O/c1-2-6-20-17-13-21-16(12-22-17)18(25)24-9-7-23(8-10-24)15-5-3-4-14(19)11-15/h2-5,11-13H,1,6-10H2,(H,20,22)
InChIKeyGMJNOXOMTQTLKI-UHFFFAOYSA-N
XLogP2.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone 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

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180488
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202333
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone
CID 109110246
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272208
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
[4-(3-methylphenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202330
[4-(3-methylphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295973
[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone
CID 109184792
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610
N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272324

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone (CID 109272206) is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone is C=CCNc1cnc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone?
The InChIKey is GMJNOXOMTQTLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-2-6-20-17-13-21-16(12-22-17)18(25)24-9-7-23(8-10-24)15-5-3-4-14(19)11-15/h2-5,11-13H,1,6-10H2,(H,20,22).
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone has a molecular weight of 357.85 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109272206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).