[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone

C18H24Cl2N4O — CID 59846080

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone
SMILESC=CCN1CCN[C@@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C18H24Cl2N4O/c1-2-6-22-7-5-21-17(13-22)18(25)24-10-8-23(9-11-24)14-3-4-15(19)16(20)12-14/h2-4,12,17,21H,1,5-11,13H2/t17-/m1/s1
InChIKeyOZWZHMABZSZTAV-QGZVFWFLSA-N
MW383.32 g/mol
LogP2.10
Rot. Bonds4

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone

[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone (PubChem CID 59846080) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone
PubChem CID59846080
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone
SMILESC=CCN1CCN[C@@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C18H24Cl2N4O/c1-2-6-22-7-5-21-17(13-22)18(25)24-10-8-23(9-11-24)14-3-4-15(19)16(20)12-14/h2-4,12,17,21H,1,5-11,13H2/t17-/m1/s1
InChIKeyOZWZHMABZSZTAV-QGZVFWFLSA-N
XLogP2.10
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone (CID 59846080) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone is C=CCN1CCN[C@@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone?
The InChIKey is OZWZHMABZSZTAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24Cl2N4O/c1-2-6-22-7-5-21-17(13-22)18(25)24-10-8-23(9-11-24)14-3-4-15(19)16(20)12-14/h2-4,12,17,21H,1,5-11,13H2/t17-/m1/s1.
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone has a molecular weight of 383.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone is sourced from PubChem (CID 59846080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).