[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone

C19H24N2O2 — CID 164696777

IUPAC[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c2ccccc21
InChIInChI=1S/C19H24N2O2/c1-20-12-15(14-6-2-3-7-16(14)20)18(23)21-11-5-10-19(13-21)9-4-8-17(19)22/h2-3,6-7,12,17,22H,4-5,8-11,13H2,1H3/t17-,19+/m1/s1
InChIKeyOVSKWGJGNHBEDC-MJGOQNOKSA-N
MW312.41 g/mol
LogP2.95
Rot. Bonds1

About [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone

[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone (PubChem CID 164696777) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
PubChem CID164696777
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c2ccccc21
InChIInChI=1S/C19H24N2O2/c1-20-12-15(14-6-2-3-7-16(14)20)18(23)21-11-5-10-19(13-21)9-4-8-17(19)22/h2-3,6-7,12,17,22H,4-5,8-11,13H2,1H3/t17-,19+/m1/s1
InChIKeyOVSKWGJGNHBEDC-MJGOQNOKSA-N
XLogP2.95
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone with MolForge

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Related Compounds

azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 135112836
(2-chloro-3-methylphenyl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 135101178
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 135093819
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone
CID 171512086
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone (CID 164696777) is [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c2ccccc21.
What is the InChIKey of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is OVSKWGJGNHBEDC-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-20-12-15(14-6-2-3-7-16(14)20)18(23)21-11-5-10-19(13-21)9-4-8-17(19)22/h2-3,6-7,12,17,22H,4-5,8-11,13H2,1H3/t17-,19+/m1/s1.
What are the key properties of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone?
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 164696777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).