2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

C23H32N4O5S — CID 4235176

IUPAC2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H32N4O5S/c1-16-9-10-18(14-19(16)33(31,32)26-12-6-3-7-13-26)24-20(28)15-27-21(29)23(25-22(27)30)11-5-4-8-17(23)2/h9-10,14,17H,3-8,11-13,15H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyGQRPKAMYDQZTHQ-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.61
Rot. Bonds5

About 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4235176) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4235176
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H32N4O5S/c1-16-9-10-18(14-19(16)33(31,32)26-12-6-3-7-13-26)24-20(28)15-27-21(29)23(25-22(27)30)11-5-4-8-17(23)2/h9-10,14,17H,3-8,11-13,15H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyGQRPKAMYDQZTHQ-UHFFFAOYSA-N
XLogP2.61
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4235176) is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is GQRPKAMYDQZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-16-9-10-18(14-19(16)33(31,32)26-12-6-3-7-13-26)24-20(28)15-27-21(29)23(25-22(27)30)11-5-4-8-17(23)2/h9-10,14,17H,3-8,11-13,15H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 476.60 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4235176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).