[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone

C14H18Cl4N2O2 — CID 4293936

IUPAC[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCN(C(=O)C3(C)CC3(Cl)Cl)CC2)CC1(Cl)Cl
InChIInChI=1S/C14H18Cl4N2O2/c1-11(7-13(11,15)16)9(21)19-3-5-20(6-4-19)10(22)12(2)8-14(12,17)18/h3-8H2,1-2H3
InChIKeyZLVDTBFMMHRPBA-UHFFFAOYSA-N
MW388.12 g/mol
LogP2.83
Rot. Bonds2

About [4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone

[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone (PubChem CID 4293936) has the molecular formula C14H18Cl4N2O2 and a molecular weight of 388.12 g/mol. Its IUPAC name is [4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone
PubChem CID4293936
Molecular FormulaC14H18Cl4N2O2
Molecular Weight388.12 g/mol
Exact Mass386.01
IUPAC Name[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCN(C(=O)C3(C)CC3(Cl)Cl)CC2)CC1(Cl)Cl
InChIInChI=1S/C14H18Cl4N2O2/c1-11(7-13(11,15)16)9(21)19-3-5-20(6-4-19)10(22)12(2)8-14(12,17)18/h3-8H2,1-2H3
InChIKeyZLVDTBFMMHRPBA-UHFFFAOYSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.12
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone?
The IUPAC name of [4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone (CID 4293936) is [4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone?
The canonical SMILES for [4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone is CC1(C(=O)N2CCN(C(=O)C3(C)CC3(Cl)Cl)CC2)CC1(Cl)Cl.
What is the InChIKey of [4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone?
The InChIKey is ZLVDTBFMMHRPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl4N2O2/c1-11(7-13(11,15)16)9(21)19-3-5-20(6-4-19)10(22)12(2)8-14(12,17)18/h3-8H2,1-2H3.
What are the key properties of [4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone?
[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone has a molecular weight of 388.12 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-(2,2-dichloro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 4293936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).