(5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C20H24FN3O3 — CID 95717790

IUPAC(5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2
InChIInChI=1S/C20H24FN3O3/c1-13-15(14-5-3-6-16(21)18(14)22-13)11-17(25)24-9-4-7-20(8-10-24)12-23(2)19(26)27-20/h3,5-6,22H,4,7-12H2,1-2H3/t20-/m1/s1
InChIKeyJCRNVNVMPHOSQS-HXUWFJFHSA-N
MW373.43 g/mol
LogP2.99
Rot. Bonds2

About (5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 95717790) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is (5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID95717790
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name(5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2
InChIInChI=1S/C20H24FN3O3/c1-13-15(14-5-3-6-16(21)18(14)22-13)11-17(25)24-9-4-7-20(8-10-24)12-23(2)19(26)27-20/h3,5-6,22H,4,7-12H2,1-2H3/t20-/m1/s1
InChIKeyJCRNVNVMPHOSQS-HXUWFJFHSA-N
XLogP2.99
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 77094615
9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906368
(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719850
3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56907295
4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70724139
1-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 97131804
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099
8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166330448
3-methyl-9-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56897333
(5R)-3-methyl-9-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 97280518
(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720116
(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95722297

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 95717790) is (5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2.
What is the InChIKey of (5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is JCRNVNVMPHOSQS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-13-15(14-5-3-6-16(21)18(14)22-13)11-17(25)24-9-4-7-20(8-10-24)12-23(2)19(26)27-20/h3,5-6,22H,4,7-12H2,1-2H3/t20-/m1/s1.
What are the key properties of (5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 373.43 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 95717790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).