1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone

C22H29N3O5S — CID 22579699

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H29N3O5S/c1-23-19-6-5-18(31(27,28)25-9-3-2-4-10-25)15-17(19)16-20(23)21(26)24-11-7-22(8-12-24)29-13-14-30-22/h5-6,15-16H,2-4,7-14H2,1H3
InChIKeyGKVJJBSZDFMOPA-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.33
Rot. Bonds3

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone (PubChem CID 22579699) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone
PubChem CID22579699
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H29N3O5S/c1-23-19-6-5-18(31(27,28)25-9-3-2-4-10-25)15-17(19)16-20(23)21(26)24-11-7-22(8-12-24)29-13-14-30-22/h5-6,15-16H,2-4,7-14H2,1H3
InChIKeyGKVJJBSZDFMOPA-UHFFFAOYSA-N
XLogP2.33
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110853525
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 35436399
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 20919001
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
CID 110853540
1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide
CID 22579716
1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide
CID 50802053
(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46977726
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone
CID 92502198
(1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 5174174
N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide
CID 22579710
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one
CID 53028734

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone (CID 22579699) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone is Cn1c(C(=O)N2CCC3(CC2)OCCO3)cc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone?
The InChIKey is GKVJJBSZDFMOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-23-19-6-5-18(31(27,28)25-9-3-2-4-10-25)15-17(19)16-20(23)21(26)24-11-7-22(8-12-24)29-13-14-30-22/h5-6,15-16H,2-4,7-14H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone has a molecular weight of 447.56 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone is sourced from PubChem (CID 22579699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).