(2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone

C11H18Cl2N2O — CID 4117823

IUPAC(2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1
InChIInChI=1S/C11H18Cl2N2O/c1-3-14-4-6-15(7-5-14)9(16)10(2)8-11(10,12)13/h3-8H2,1-2H3
InChIKeyILHYPJAWSBZAMM-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.73
Rot. Bonds2

About (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone

(2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 4117823) has the molecular formula C11H18Cl2N2O and a molecular weight of 265.18 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID4117823
Molecular FormulaC11H18Cl2N2O
Molecular Weight265.18 g/mol
Exact Mass264.08
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1
InChIInChI=1S/C11H18Cl2N2O/c1-3-14-4-6-15(7-5-14)9(16)10(2)8-11(10,12)13/h3-8H2,1-2H3
InChIKeyILHYPJAWSBZAMM-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-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 (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone (CID 4117823) is (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is ILHYPJAWSBZAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N2O/c1-3-14-4-6-15(7-5-14)9(16)10(2)8-11(10,12)13/h3-8H2,1-2H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone?
(2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 265.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 4117823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).