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

C19H26ClN3O — CID 71472245

IUPAC1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@@H]1CN(CC(=O)N2CC3(CCCC3)c3ccc(Cl)cc32)CCN1
InChIInChI=1S/C19H26ClN3O/c1-14-11-22(9-8-21-14)12-18(24)23-13-19(6-2-3-7-19)16-5-4-15(20)10-17(16)23/h4-5,10,14,21H,2-3,6-9,11-13H2,1H3/t14-/m1/s1
InChIKeyVFFJBAXSBSTSOI-CQSZACIVSA-N
MW347.89 g/mol
LogP2.79
Rot. Bonds2

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

1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (PubChem CID 71472245) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
PubChem CID71472245
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@@H]1CN(CC(=O)N2CC3(CCCC3)c3ccc(Cl)cc32)CCN1
InChIInChI=1S/C19H26ClN3O/c1-14-11-22(9-8-21-14)12-18(24)23-13-19(6-2-3-7-19)16-5-4-15(20)10-17(16)23/h4-5,10,14,21H,2-3,6-9,11-13H2,1H3/t14-/m1/s1
InChIKeyVFFJBAXSBSTSOI-CQSZACIVSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone with MolForge

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Related Compounds

3-{4-[4-(3-Chloro-4-fluorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24853955
3-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-6-fluoro-1,3-dihydro-2H-indol-2-one
CID 24854041
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
CID 24854273
(3~{s},3'~{s},4'~{s})-4'-Azanyl-6-Chloranyl-3'-(3-Chlorophenyl)-1'-(2,2-Dimethylpropyl)spiro[1~{h}-Indole-3,2'-Pyrrolidine]-2-One
CID 122198471
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542
2-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 9104271
2-{4-[(4-Chlorophenyl)methyl]piperazinyl}-1-(3-methylindolinyl)ethan-1-one
CID 9843032
7-Chloro-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 9859144
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((S)-2-vinyl-2,3-dihydro-indol-1-yl)-ethanone
CID 9865490
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(6-chloro-2,3-dihydro-indol-1-yl)-ethanone
CID 9865920
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-spiro[3H-indole-2,1'-cyclopentane]-1-ylethanone
CID 9867004
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(7-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 9886340

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (CID 71472245) is 1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is C[C@@H]1CN(CC(=O)N2CC3(CCCC3)c3ccc(Cl)cc32)CCN1.
What is the InChIKey of 1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is VFFJBAXSBSTSOI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-14-11-22(9-8-21-14)12-18(24)23-13-19(6-2-3-7-19)16-5-4-15(20)10-17(16)23/h4-5,10,14,21H,2-3,6-9,11-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 347.89 g/mol, XLogP of 2.79, 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'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 71472245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).