[4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C18H25ClN2O — CID 728235

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1(C)C
InChIInChI=1S/C18H25ClN2O/c1-17(2)15(18(17,3)4)16(22)21-11-9-20(10-12-21)14-7-5-13(19)6-8-14/h5-8,15H,9-12H2,1-4H3
InChIKeyXUUDKRSJWCYINT-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.67
Rot. Bonds2

About [4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 728235) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID728235
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1(C)C
InChIInChI=1S/C18H25ClN2O/c1-17(2)15(18(17,3)4)16(22)21-11-9-20(10-12-21)14-7-5-13(19)6-8-14/h5-8,15H,9-12H2,1-4H3
InChIKeyXUUDKRSJWCYINT-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)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-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 728235) is [4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1(C)C.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is XUUDKRSJWCYINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-17(2)15(18(17,3)4)16(22)21-11-9-20(10-12-21)14-7-5-13(19)6-8-14/h5-8,15H,9-12H2,1-4H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 320.86 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 728235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).