2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

C24H24FN3O2 — CID 175398385

IUPAC2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC2(CC1)CCN(Cc1ccccc1F)C2=O
InChIInChI=1S/C24H24FN3O2/c25-20-4-2-1-3-19(20)16-28-14-10-24(23(28)30)8-12-27(13-9-24)22(29)18-6-5-17-7-11-26-21(17)15-18/h1-7,11,15,26H,8-10,12-14,16H2
InChIKeyZOTOHZLUJWBHFK-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.96
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 175398385) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID175398385
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC2(CC1)CCN(Cc1ccccc1F)C2=O
InChIInChI=1S/C24H24FN3O2/c25-20-4-2-1-3-19(20)16-28-14-10-24(23(28)30)8-12-27(13-9-24)22(29)18-6-5-17-7-11-26-21(17)15-18/h1-7,11,15,26H,8-10,12-14,16H2
InChIKeyZOTOHZLUJWBHFK-UHFFFAOYSA-N
XLogP3.96
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-7-[(2-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95730507
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434
8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494072
(5S)-7-[(2-fluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25370197
(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126442122
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-imidazole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45175530
(5R)-7-[(2-fluorophenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
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3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901933
(5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25292551
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45170196
8-(3-fluorobenzoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449711
1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 175398385) is 2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is O=C(c1ccc2cc[nH]c2c1)N1CCC2(CC1)CCN(Cc1ccccc1F)C2=O.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ZOTOHZLUJWBHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-20-4-2-1-3-19(20)16-28-14-10-24(23(28)30)8-12-27(13-9-24)22(29)18-6-5-17-7-11-26-21(17)15-18/h1-7,11,15,26H,8-10,12-14,16H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 405.47 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 175398385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).