2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone

C23H28N2O3 — CID 135112836

IUPAC2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
SMILESO=C(c1cn(CC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c2ccccc12)C1CC1
InChIInChI=1S/C23H28N2O3/c26-20-7-3-10-23(20)11-4-12-24(15-23)21(27)14-25-13-18(22(28)16-8-9-16)17-5-1-2-6-19(17)25/h1-2,5-6,13,16,20,26H,3-4,7-12,14-15H2/t20-,23+/m1/s1
InChIKeyISMAZWPMRCOXKC-OFNKIYASSA-N
MW380.49 g/mol
LogP3.39
Rot. Bonds4

About 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone

2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone (PubChem CID 135112836) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
PubChem CID135112836
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
SMILESO=C(c1cn(CC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c2ccccc12)C1CC1
InChIInChI=1S/C23H28N2O3/c26-20-7-3-10-23(20)11-4-12-24(15-23)21(27)14-25-13-18(22(28)16-8-9-16)17-5-1-2-6-19(17)25/h1-2,5-6,13,16,20,26H,3-4,7-12,14-15H2/t20-,23+/m1/s1
InChIKeyISMAZWPMRCOXKC-OFNKIYASSA-N
XLogP3.39
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 963220
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
(3aR,7aS)-2-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138384183
1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562371
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
2-oxo-N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808099
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169421751

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone (CID 135112836) is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone is O=C(c1cn(CC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c2ccccc12)C1CC1.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone?
The InChIKey is ISMAZWPMRCOXKC-OFNKIYASSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-20-7-3-10-23(20)11-4-12-24(15-23)21(27)14-25-13-18(22(28)16-8-9-16)17-5-1-2-6-19(17)25/h1-2,5-6,13,16,20,26H,3-4,7-12,14-15H2/t20-,23+/m1/s1.
What are the key properties of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone?
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone has a molecular weight of 380.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone is sourced from PubChem (CID 135112836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).