[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone

C18H22Cl2N2O — CID 2940132

IUPAC[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H22Cl2N2O/c1-18(2)14(12-15(19)20)16(18)17(23)22-10-8-21(9-11-22)13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3
InChIKeyLRPAYGVRUGSAKT-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.93
Rot. Bonds3

About [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone

[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2940132) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID2940132
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC Name[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H22Cl2N2O/c1-18(2)14(12-15(19)20)16(18)17(23)22-10-8-21(9-11-22)13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3
InChIKeyLRPAYGVRUGSAKT-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-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 [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone (CID 2940132) is [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone is CC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is LRPAYGVRUGSAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O/c1-18(2)14(12-15(19)20)16(18)17(23)22-10-8-21(9-11-22)13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3.
What are the key properties of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 353.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2940132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).