1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide

C21H25N5O5S — CID 42922751

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1
InChIInChI=1S/C21H25N5O5S/c27-18(23-26-19(28)21(22-20(26)29)10-4-1-5-11-21)14-7-6-12-25(13-14)17-15-8-2-3-9-16(15)32(30,31)24-17/h2-3,8-9,14H,1,4-7,10-13H2,(H,22,29)(H,23,27)
InChIKeyWJKBPIOIQGNIAL-UHFFFAOYSA-N
MW459.53 g/mol
LogP1.13
Rot. Bonds2

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide (PubChem CID 42922751) has the molecular formula C21H25N5O5S and a molecular weight of 459.53 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide
PubChem CID42922751
Molecular FormulaC21H25N5O5S
Molecular Weight459.53 g/mol
Exact Mass459.16
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1
InChIInChI=1S/C21H25N5O5S/c27-18(23-26-19(28)21(22-20(26)29)10-4-1-5-11-21)14-7-6-12-25(13-14)17-15-8-2-3-9-16(15)32(30,31)24-17/h2-3,8-9,14H,1,4-7,10-13H2,(H,22,29)(H,23,27)
InChIKeyWJKBPIOIQGNIAL-UHFFFAOYSA-N
XLogP1.13
TPSA128.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 24549208
1-[[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carbonyl]amino]-3-(3-methylbutyl)thiourea
CID 9150332
(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)pyrrolidine-2-carboxamide
CID 9205790
(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methylpiperazin-1-yl)pyrrolidine-2-carboxamide
CID 9205791
N'-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetyl]cyclohexanecarbohydrazide
CID 9327325
1-tert-butyl-3-[[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carbonyl]amino]thiourea
CID 9425973
(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-piperidin-1-ylpyrrolidine-2-carboxamide
CID 11938447
(2S)-N'-(cyclohexanecarbonyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carbohydrazide
CID 11939225
[2-[(8-Methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate
CID 16230569
2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17426230
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 17474038
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)piperidine-3-carboxamide
CID 17571403

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide (CID 42922751) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide is O=C(NN1C(=O)NC2(CCCCC2)C1=O)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide?
The InChIKey is WJKBPIOIQGNIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5S/c27-18(23-26-19(28)21(22-20(26)29)10-4-1-5-11-21)14-7-6-12-25(13-14)17-15-8-2-3-9-16(15)32(30,31)24-17/h2-3,8-9,14H,1,4-7,10-13H2,(H,22,29)(H,23,27).
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 42922751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).