1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile

C17H24N4O3 — CID 49063313

IUPAC1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C#N)CC1)C2=O
InChIInChI=1S/C17H24N4O3/c1-12-2-6-17(7-3-12)15(23)21(16(24)19-17)11-14(22)20-8-4-13(10-18)5-9-20/h12-13H,2-9,11H2,1H3,(H,19,24)
InChIKeyBQGRWCHZLMMFDV-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.25
Rot. Bonds2

About 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile

1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile (PubChem CID 49063313) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile
PubChem CID49063313
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C#N)CC1)C2=O
InChIInChI=1S/C17H24N4O3/c1-12-2-6-17(7-3-12)15(23)21(16(24)19-17)11-14(22)20-8-4-13(10-18)5-9-20/h12-13H,2-9,11H2,1H3,(H,19,24)
InChIKeyBQGRWCHZLMMFDV-UHFFFAOYSA-N
XLogP1.25
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120814508
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4212120
1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile
CID 49063610
8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55884903
(3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide
CID 94457732
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119373441
1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 9474385
N-(1-cyanocyclopentyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823027
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
methyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 7609865
8-ethyl-3-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119544004

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile (CID 49063313) is 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile is CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C#N)CC1)C2=O.
What is the InChIKey of 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile?
The InChIKey is BQGRWCHZLMMFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-2-6-17(7-3-12)15(23)21(16(24)19-17)11-14(22)20-8-4-13(10-18)5-9-20/h12-13H,2-9,11H2,1H3,(H,19,24).
What are the key properties of 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile?
1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile has a molecular weight of 332.40 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile is sourced from PubChem (CID 49063313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).