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

C18H30N4O4 — CID 17393950

IUPACtert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C18H30N4O4/c1-17(2,3)26-16(25)21-11-9-20(10-12-21)13-22-14(23)18(19-15(22)24)7-5-4-6-8-18/h4-13H2,1-3H3,(H,19,24)
InChIKeyKNAFZDLPHJZCAJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.75
Rot. Bonds2

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

tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate (PubChem CID 17393950) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate
PubChem CID17393950
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Nametert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C18H30N4O4/c1-17(2,3)26-16(25)21-11-9-20(10-12-21)13-22-14(23)18(19-15(22)24)7-5-4-6-8-18/h4-13H2,1-3H3,(H,19,24)
InChIKeyKNAFZDLPHJZCAJ-UHFFFAOYSA-N
XLogP1.75
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-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 tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate (CID 17393950) is tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate?
The InChIKey is KNAFZDLPHJZCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-17(2,3)26-16(25)21-11-9-20(10-12-21)13-22-14(23)18(19-15(22)24)7-5-4-6-8-18/h4-13H2,1-3H3,(H,19,24).
What are the key properties of tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate?
tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 17393950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).