[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone

C20H27N3O3 — CID 95707901

IUPAC[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone
SMILESCc1c(C(=O)N2CCO[C@@]3(CNCCOC3)C2)n(C)c2c(C)cccc12
InChIInChI=1S/C20H27N3O3/c1-14-5-4-6-16-15(2)18(22(3)17(14)16)19(24)23-8-10-26-20(12-23)11-21-7-9-25-13-20/h4-6,21H,7-13H2,1-3H3/t20-/m0/s1
InChIKeySOLMQURLLIYFNO-FQEVSTJZSA-N
MW357.45 g/mol
LogP1.63
Rot. Bonds1

About [(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone

[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone (PubChem CID 95707901) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is [(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone.

Molecular Properties

Compound Name[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone
PubChem CID95707901
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone
SMILESCc1c(C(=O)N2CCO[C@@]3(CNCCOC3)C2)n(C)c2c(C)cccc12
InChIInChI=1S/C20H27N3O3/c1-14-5-4-6-16-15(2)18(22(3)17(14)16)19(24)23-8-10-26-20(12-23)11-21-7-9-25-13-20/h4-6,21H,7-13H2,1-3H3/t20-/m0/s1
InChIKeySOLMQURLLIYFNO-FQEVSTJZSA-N
XLogP1.63
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 95718325
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 95721471
1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl-(2-methyl-1-benzofuran-7-yl)methanone
CID 56896829
(3-chloro-2-fluorophenyl)-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95726443
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594
(2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95729959
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one
CID 95706811
(2-chloro-5-pyrazol-1-ylphenyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95728254
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one
CID 56882429
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-3-pyridin-3-ylpropan-1-one
CID 56884581
N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide
CID 95728332

Frequently Asked Questions

What is the IUPAC name of [(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone?
The IUPAC name of [(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone (CID 95707901) is [(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone.
What is the SMILES notation for [(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone?
The canonical SMILES for [(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone is Cc1c(C(=O)N2CCO[C@@]3(CNCCOC3)C2)n(C)c2c(C)cccc12.
What is the InChIKey of [(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone?
The InChIKey is SOLMQURLLIYFNO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-5-4-6-16-15(2)18(22(3)17(14)16)19(24)23-8-10-26-20(12-23)11-21-7-9-25-13-20/h4-6,21H,7-13H2,1-3H3/t20-/m0/s1.
What are the key properties of [(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone?
[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone has a molecular weight of 357.45 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone is sourced from PubChem (CID 95707901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).