1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone

C23H31N3O5S — CID 92502198

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC5(CC4)OCCO5)C3)ccc21
InChIInChI=1S/C23H31N3O5S/c1-2-24-11-7-18-16-20(5-6-21(18)24)32(28,29)26-10-3-4-19(17-26)22(27)25-12-8-23(9-13-25)30-14-15-31-23/h5-7,11,16,19H,2-4,8-10,12-15,17H2,1H3/t19-/m1/s1
InChIKeyVBSPIBULAZFFAP-LJQANCHMSA-N
MW461.58 g/mol
LogP2.43
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone (PubChem CID 92502198) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone
PubChem CID92502198
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC5(CC4)OCCO5)C3)ccc21
InChIInChI=1S/C23H31N3O5S/c1-2-24-11-7-18-16-20(5-6-21(18)24)32(28,29)26-10-3-4-19(17-26)22(27)25-12-8-23(9-13-25)30-14-15-31-23/h5-7,11,16,19H,2-4,8-10,12-15,17H2,1H3/t19-/m1/s1
InChIKeyVBSPIBULAZFFAP-LJQANCHMSA-N
XLogP2.43
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 93306232
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 20919001
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 20966237
(3S)-N-(3-ethoxypropyl)-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92726167
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92751316
(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 92751303
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46349864
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3S)-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-3-yl]methanone
CID 93058366
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751320

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone (CID 92502198) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone is CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC5(CC4)OCCO5)C3)ccc21.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is VBSPIBULAZFFAP-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-2-24-11-7-18-16-20(5-6-21(18)24)32(28,29)26-10-3-4-19(17-26)22(27)25-12-8-23(9-13-25)30-14-15-31-23/h5-7,11,16,19H,2-4,8-10,12-15,17H2,1H3/t19-/m1/s1.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 461.58 g/mol, XLogP of 2.43, 4 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-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 92502198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).