tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate

C20H32N4O5 — CID 24545807

IUPACtert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C2=O
InChIInChI=1S/C20H32N4O5/c1-13-7-9-20(10-8-13)16(26)24(17(27)21-20)22-15(25)14-6-5-11-23(12-14)18(28)29-19(2,3)4/h13-14H,5-12H2,1-4H3,(H,21,27)(H,22,25)
InChIKeyCITUGBHIEAKMNW-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.17
Rot. Bonds2

About tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 24545807) has the molecular formula C20H32N4O5 and a molecular weight of 408.50 g/mol. Its IUPAC name is tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID24545807
Molecular FormulaC20H32N4O5
Molecular Weight408.50 g/mol
Exact Mass408.24
IUPAC Nametert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C2=O
InChIInChI=1S/C20H32N4O5/c1-13-7-9-20(10-8-13)16(26)24(17(27)21-20)22-15(25)14-6-5-11-23(12-14)18(28)29-19(2,3)4/h13-14H,5-12H2,1-4H3,(H,21,27)(H,22,25)
InChIKeyCITUGBHIEAKMNW-UHFFFAOYSA-N
XLogP2.17
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 84556160
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CID 42053071
tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 160697119
tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
CID 124750324
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683
tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51930968
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290
tert-butyl 3-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51253317
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
3-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 84551294
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate (CID 24545807) is tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate is CC1CCC2(CC1)NC(=O)N(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C2=O.
What is the InChIKey of tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is CITUGBHIEAKMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O5/c1-13-7-9-20(10-8-13)16(26)24(17(27)21-20)22-15(25)14-6-5-11-23(12-14)18(28)29-19(2,3)4/h13-14H,5-12H2,1-4H3,(H,21,27)(H,22,25).
What are the key properties of tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24545807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).