cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone

C18H24N2O2 — CID 22375366

IUPACcyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2c(c1)C(N1CCN(C(=O)C3CC3)CC1)CC2
InChIInChI=1S/C18H24N2O2/c1-22-15-6-4-13-5-7-17(16(13)12-15)19-8-10-20(11-9-19)18(21)14-2-3-14/h4,6,12,14,17H,2-3,5,7-11H2,1H3
InChIKeyIEOWUIZMEVKLQP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.24
Rot. Bonds3

About cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone (PubChem CID 22375366) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
PubChem CID22375366
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Namecyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2c(c1)C(N1CCN(C(=O)C3CC3)CC1)CC2
InChIInChI=1S/C18H24N2O2/c1-22-15-6-4-13-5-7-17(16(13)12-15)19-8-10-20(11-9-19)18(21)14-2-3-14/h4,6,12,14,17H,2-3,5,7-11H2,1H3
InChIKeyIEOWUIZMEVKLQP-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-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 cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone (CID 22375366) is cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone is COc1ccc2c(c1)C(N1CCN(C(=O)C3CC3)CC1)CC2.
What is the InChIKey of cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone?
The InChIKey is IEOWUIZMEVKLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-15-6-4-13-5-7-17(16(13)12-15)19-8-10-20(11-9-19)18(21)14-2-3-14/h4,6,12,14,17H,2-3,5,7-11H2,1H3.
What are the key properties of cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone has a molecular weight of 300.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 22375366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).