1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide

C23H30N4O4 — CID 9464250

IUPAC1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1
InChIInChI=1S/C23H30N4O4/c1-15-7-11-23(12-8-15)21(30)27(22(31)24-23)25-19(28)17-9-13-26(14-10-17)20(29)18-6-4-3-5-16(18)2/h3-6,15,17H,7-14H2,1-2H3,(H,24,31)(H,25,28)
InChIKeyXZPWAPAENQUCIH-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.38
Rot. Bonds3

About 1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide

1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide (PubChem CID 9464250) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide
PubChem CID9464250
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1
InChIInChI=1S/C23H30N4O4/c1-15-7-11-23(12-8-15)21(30)27(22(31)24-23)25-19(28)17-9-13-26(14-10-17)20(29)18-6-4-3-5-16(18)2/h3-6,15,17H,7-14H2,1-2H3,(H,24,31)(H,25,28)
InChIKeyXZPWAPAENQUCIH-UHFFFAOYSA-N
XLogP2.38
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide (CID 9464250) is 1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide?
The InChIKey is XZPWAPAENQUCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-15-7-11-23(12-8-15)21(30)27(22(31)24-23)25-19(28)17-9-13-26(14-10-17)20(29)18-6-4-3-5-16(18)2/h3-6,15,17H,7-14H2,1-2H3,(H,24,31)(H,25,28).
What are the key properties of 1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide?
1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 9464250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).