1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone

C24H27N3O — CID 134790547

IUPAC1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(Cc3c[nH]c4ccccc34)CC2)Cc2ccccc21
InChIInChI=1S/C24H27N3O/c1-18(28)27-17-24(14-19-6-2-5-9-23(19)27)10-12-26(13-11-24)16-20-15-25-22-8-4-3-7-21(20)22/h2-9,15,25H,10-14,16-17H2,1H3
InChIKeyHYUKPEJVWPHAQT-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.36
Rot. Bonds2

About 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone

1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone (PubChem CID 134790547) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

Compound Name1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone
PubChem CID134790547
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(Cc3c[nH]c4ccccc34)CC2)Cc2ccccc21
InChIInChI=1S/C24H27N3O/c1-18(28)27-17-24(14-19-6-2-5-9-23(19)27)10-12-26(13-11-24)16-20-15-25-22-8-4-3-7-21(20)22/h2-9,15,25H,10-14,16-17H2,1H3
InChIKeyHYUKPEJVWPHAQT-UHFFFAOYSA-N
XLogP4.36
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone with MolForge

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Related Compounds

1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 65065153
4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid
CID 134790704
1'-(1H-indol-3-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134790387
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 878346
3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol
CID 44591043
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461
3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-1H-indole;oxalic acid
CID 17367071
1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 78820847
3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108505742
oxalic acid;3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 2900301

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone?
The IUPAC name of 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone (CID 134790547) is 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone.
What is the SMILES notation for 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone?
The canonical SMILES for 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone is CC(=O)N1CC2(CCN(Cc3c[nH]c4ccccc34)CC2)Cc2ccccc21.
What is the InChIKey of 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone?
The InChIKey is HYUKPEJVWPHAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18(28)27-17-24(14-19-6-2-5-9-23(19)27)10-12-26(13-11-24)16-20-15-25-22-8-4-3-7-21(20)22/h2-9,15,25H,10-14,16-17H2,1H3.
What are the key properties of 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone?
1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 373.50 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 134790547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).