1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one

C20H24FN3O3 — CID 162628738

IUPAC1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1c(C(=O)N2CCCC23CCCN(CCO)C3=O)[nH]c2c(F)cccc12
InChIInChI=1S/C20H24FN3O3/c1-13-14-5-2-6-15(21)17(14)22-16(13)18(26)24-10-4-8-20(24)7-3-9-23(11-12-25)19(20)27/h2,5-6,22,25H,3-4,7-12H2,1H3
InChIKeyRIJKOSDFCMSKGF-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.20
Rot. Bonds3

About 1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one

1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162628738) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162628738
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1c(C(=O)N2CCCC23CCCN(CCO)C3=O)[nH]c2c(F)cccc12
InChIInChI=1S/C20H24FN3O3/c1-13-14-5-2-6-15(21)17(14)22-16(13)18(26)24-10-4-8-20(24)7-3-9-23(11-12-25)19(20)27/h2,5-6,22,25H,3-4,7-12H2,1H3
InChIKeyRIJKOSDFCMSKGF-UHFFFAOYSA-N
XLogP2.20
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633197
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635282
9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633260
2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72927024
(7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164696251
9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019313
2-cyclopropyl-8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72879577
1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163306693
9-(2-hydroxyethyl)-1-[2-(4-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019736
1-(2-chloro-6-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164696260
1-(3-methyl-1,2-oxazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162634313
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628389

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162628738) is 1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1c(C(=O)N2CCCC23CCCN(CCO)C3=O)[nH]c2c(F)cccc12.
What is the InChIKey of 1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is RIJKOSDFCMSKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-13-14-5-2-6-15(21)17(14)22-16(13)18(26)24-10-4-8-20(24)7-3-9-23(11-12-25)19(20)27/h2,5-6,22,25H,3-4,7-12H2,1H3.
What are the key properties of 1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 373.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162628738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).