N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide

C22H30N4O5S — CID 16573959

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(S(=O)(=O)N3CCCC(C)C3)cc1)C2=O
InChIInChI=1S/C22H30N4O5S/c1-15-9-11-22(12-10-15)20(28)26(21(29)23-22)24-19(27)17-5-7-18(8-6-17)32(30,31)25-13-3-4-16(2)14-25/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,23,29)(H,24,27)
InChIKeySOZJOLYDBYYXRF-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.25
Rot. Bonds4

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 16573959) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID16573959
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(S(=O)(=O)N3CCCC(C)C3)cc1)C2=O
InChIInChI=1S/C22H30N4O5S/c1-15-9-11-22(12-10-15)20(28)26(21(29)23-22)24-19(27)17-5-7-18(8-6-17)32(30,31)25-13-3-4-16(2)14-25/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,23,29)(H,24,27)
InChIKeySOZJOLYDBYYXRF-UHFFFAOYSA-N
XLogP2.25
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 16573972
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 9324450
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 41210171
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9172045
4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
CID 17478998
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 16573959) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(S(=O)(=O)N3CCCC(C)C3)cc1)C2=O.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is SOZJOLYDBYYXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-15-9-11-22(12-10-15)20(28)26(21(29)23-22)24-19(27)17-5-7-18(8-6-17)32(30,31)25-13-3-4-16(2)14-25/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,23,29)(H,24,27).
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 462.57 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 16573959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).