1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C21H27N3O2 — CID 162634428

IUPAC1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H27N3O2/c1-15(2)23-11-5-9-21(20(23)26)10-6-12-24(21)19(25)13-16-14-22-18-8-4-3-7-17(16)18/h3-4,7-8,14-15,22H,5-6,9-13H2,1-2H3
InChIKeyLWOYFTNPPRWEMO-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.10
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162634428) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162634428
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H27N3O2/c1-15(2)23-11-5-9-21(20(23)26)10-6-12-24(21)19(25)13-16-14-22-18-8-4-3-7-17(16)18/h3-4,7-8,14-15,22H,5-6,9-13H2,1-2H3
InChIKeyLWOYFTNPPRWEMO-UHFFFAOYSA-N
XLogP3.10
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one with MolForge

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Related Compounds

1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162637513
4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one
CID 162627058
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 110637911
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110744420
(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124969435
2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462407
3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one
CID 166302710
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163314517
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 162634428) is 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2C(=O)Cc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is LWOYFTNPPRWEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)23-11-5-9-21(20(23)26)10-6-12-24(21)19(25)13-16-14-22-18-8-4-3-7-17(16)18/h3-4,7-8,14-15,22H,5-6,9-13H2,1-2H3.
What are the key properties of 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 353.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162634428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).