N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C23H32N4O5S — CID 27532751

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)c(C)c1
InChIInChI=1S/C23H32N4O5S/c1-15-13-16(2)19(17(3)14-15)33(31,32)26-11-7-18(8-12-26)20(28)25-27-21(29)23(24-22(27)30)9-5-4-6-10-23/h13-14,18H,4-12H2,1-3H3,(H,24,30)(H,25,28)
InChIKeyJTPBXTOVDIUCQN-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.30
Rot. Bonds4

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 27532751) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID27532751
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)c(C)c1
InChIInChI=1S/C23H32N4O5S/c1-15-13-16(2)19(17(3)14-15)33(31,32)26-11-7-18(8-12-26)20(28)25-27-21(29)23(24-22(27)30)9-5-4-6-10-23/h13-14,18H,4-12H2,1-3H3,(H,24,30)(H,25,28)
InChIKeyJTPBXTOVDIUCQN-UHFFFAOYSA-N
XLogP2.30
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.30
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

azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984
N-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26253473
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 4849484
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24676669
N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1090427
N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 43007922
4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 16573972
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
N-cyclohexyl-N-cyclopropyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55587647
N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide
CID 55349850
N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26532730

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 27532751) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JTPBXTOVDIUCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-15-13-16(2)19(17(3)14-15)33(31,32)26-11-7-18(8-12-26)20(28)25-27-21(29)23(24-22(27)30)9-5-4-6-10-23/h13-14,18H,4-12H2,1-3H3,(H,24,30)(H,25,28).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 27532751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).