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

C22H30N4O3 — CID 2396493

IUPAC2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)cc1)C2=O
InChIInChI=1S/C22H30N4O3/c1-16-9-11-22(12-10-16)20(28)26(21(29)24-22)15-19(27)23-17-5-7-18(8-6-17)25-13-3-2-4-14-25/h5-8,16H,2-4,9-15H2,1H3,(H,23,27)(H,24,29)
InChIKeyVPJOTMZREIKUMM-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.12
Rot. Bonds4

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

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 2396493) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID2396493
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)cc1)C2=O
InChIInChI=1S/C22H30N4O3/c1-16-9-11-22(12-10-16)20(28)26(21(29)24-22)15-19(27)23-17-5-7-18(8-6-17)25-13-3-2-4-14-25/h5-8,16H,2-4,9-15H2,1H3,(H,23,27)(H,24,29)
InChIKeyVPJOTMZREIKUMM-UHFFFAOYSA-N
XLogP3.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 2396493) is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)cc1)C2=O.
What is the InChIKey of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is VPJOTMZREIKUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16-9-11-22(12-10-16)20(28)26(21(29)24-22)15-19(27)23-17-5-7-18(8-6-17)25-13-3-2-4-14-25/h5-8,16H,2-4,9-15H2,1H3,(H,23,27)(H,24,29).
What are the key properties of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 2396493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).