1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone

C17H22ClN3O — CID 71472247

IUPAC1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@@H]1CN(CC(=O)N2CC3(CC3)c3ccc(Cl)cc32)CCN1
InChIInChI=1S/C17H22ClN3O/c1-12-9-20(7-6-19-12)10-16(22)21-11-17(4-5-17)14-3-2-13(18)8-15(14)21/h2-3,8,12,19H,4-7,9-11H2,1H3/t12-/m1/s1
InChIKeyAVTTYLLOANPRIU-GFCCVEGCSA-N
MW319.84 g/mol
LogP2.01
Rot. Bonds2

About 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone

1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (PubChem CID 71472247) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
PubChem CID71472247
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@@H]1CN(CC(=O)N2CC3(CC3)c3ccc(Cl)cc32)CCN1
InChIInChI=1S/C17H22ClN3O/c1-12-9-20(7-6-19-12)10-16(22)21-11-17(4-5-17)14-3-2-13(18)8-15(14)21/h2-3,8,12,19H,4-7,9-11H2,1H3/t12-/m1/s1
InChIKeyAVTTYLLOANPRIU-GFCCVEGCSA-N
XLogP2.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone 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 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (CID 71472247) is 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is C[C@@H]1CN(CC(=O)N2CC3(CC3)c3ccc(Cl)cc32)CCN1.
What is the InChIKey of 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is AVTTYLLOANPRIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-12-9-20(7-6-19-12)10-16(22)21-11-17(4-5-17)14-3-2-13(18)8-15(14)21/h2-3,8,12,19H,4-7,9-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 319.84 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 71472247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).