2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one

C25H29N3O — CID 70342928

IUPAC2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one
SMILESCc1ccc2[nH]cc(CC(N)C(=O)N3CCC4(CCc5ccccc54)CC3)c2c1
InChIInChI=1S/C25H29N3O/c1-17-6-7-23-20(14-17)19(16-27-23)15-22(26)24(29)28-12-10-25(11-13-28)9-8-18-4-2-3-5-21(18)25/h2-7,14,16,22,27H,8-13,15,26H2,1H3
InChIKeyUWIDKQDIYVFLMS-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.85
Rot. Bonds3

About 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one

2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one (PubChem CID 70342928) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one
PubChem CID70342928
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one
SMILESCc1ccc2[nH]cc(CC(N)C(=O)N3CCC4(CCc5ccccc54)CC3)c2c1
InChIInChI=1S/C25H29N3O/c1-17-6-7-23-20(14-17)19(16-27-23)15-22(26)24(29)28-12-10-25(11-13-28)9-8-18-4-2-3-5-21(18)25/h2-7,14,16,22,27H,8-13,15,26H2,1H3
InChIKeyUWIDKQDIYVFLMS-UHFFFAOYSA-N
XLogP3.85
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid
CID 23367838
2-amino-N-[3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide;hydrochloride
CID 23367775
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrate
CID 18530245
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142449
(2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 104921233
(2S)-2-amino-1-(azocan-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 119955806
(2S)-2-amino-3-(1H-indol-3-yl)-1-piperidin-1-ylpropan-1-one
CID 770507
(2S)-2-amino-1-[4-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 130453905
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 75098577
(2S)-2-amino-1-(3,3-diethylpyrrolidin-1-yl)-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119957351
(2S)-2-amino-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 22691497

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one?
The IUPAC name of 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one (CID 70342928) is 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one.
What is the SMILES notation for 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one?
The canonical SMILES for 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one is Cc1ccc2[nH]cc(CC(N)C(=O)N3CCC4(CCc5ccccc54)CC3)c2c1.
What is the InChIKey of 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one?
The InChIKey is UWIDKQDIYVFLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-17-6-7-23-20(14-17)19(16-27-23)15-22(26)24(29)28-12-10-25(11-13-28)9-8-18-4-2-3-5-21(18)25/h2-7,14,16,22,27H,8-13,15,26H2,1H3.
What are the key properties of 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one?
2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one has a molecular weight of 387.53 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one is sourced from PubChem (CID 70342928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).