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

C22H30N4O5S — CID 16573972

IUPAC4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H30N4O5S/c1-15-8-10-22(11-9-15)20(28)26(21(29)23-22)24-19(27)17-7-6-16(2)18(14-17)32(30,31)25-12-4-3-5-13-25/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyNMMLRUGMEFCFMU-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.32
Rot. Bonds4

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

4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 16573972) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID16573972
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC Name4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H30N4O5S/c1-15-8-10-22(11-9-15)20(28)26(21(29)23-22)24-19(27)17-7-6-16(2)18(14-17)32(30,31)25-12-4-3-5-13-25/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyNMMLRUGMEFCFMU-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 16573959
4-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 41209789
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 9324450
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 40635286
4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 41095890
4-methyl-3-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514288
N-cyclopropyl-4-methyl-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 47047657
2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
CID 119217243
4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8923305
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 16573972) is 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NMMLRUGMEFCFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-15-8-10-22(11-9-15)20(28)26(21(29)23-22)24-19(27)17-7-6-16(2)18(14-17)32(30,31)25-12-4-3-5-13-25/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,23,29)(H,24,27).
What are the key properties of 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 462.57 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 16573972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).