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

C19H30N4O5 — CID 51215115

IUPACethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1
InChIInChI=1S/C19H30N4O5/c1-3-28-18(27)22-10-6-14(7-11-22)20-15(24)12-23-16(25)19(21-17(23)26)8-4-13(2)5-9-19/h13-14H,3-12H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyJXVMIBDRFOORNF-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.22
Rot. Bonds4

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

ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 51215115) has the molecular formula C19H30N4O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID51215115
Molecular FormulaC19H30N4O5
Molecular Weight394.47 g/mol
Exact Mass394.22
IUPAC Nameethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1
InChIInChI=1S/C19H30N4O5/c1-3-28-18(27)22-10-6-14(7-11-22)20-15(24)12-23-16(25)19(21-17(23)26)8-4-13(2)5-9-19/h13-14H,3-12H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyJXVMIBDRFOORNF-UHFFFAOYSA-N
XLogP1.22
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 51215115) is ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1.
What is the InChIKey of ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is JXVMIBDRFOORNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O5/c1-3-28-18(27)22-10-6-14(7-11-22)20-15(24)12-23-16(25)19(21-17(23)26)8-4-13(2)5-9-19/h13-14H,3-12H2,1-2H3,(H,20,24)(H,21,26).
What are the key properties of ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 51215115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).