ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate

C18H28N4O5 — CID 16812329

IUPACethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)CC1
InChIInChI=1S/C18H28N4O5/c1-3-27-17(26)21-10-8-20(9-11-21)14(23)12-22-15(24)18(19-16(22)25)7-5-4-6-13(18)2/h13H,3-12H2,1-2H3,(H,19,25)
InChIKeyDXAPTFJIJXGBGS-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.79
Rot. Bonds3

About ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate (PubChem CID 16812329) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate
PubChem CID16812329
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Nameethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)CC1
InChIInChI=1S/C18H28N4O5/c1-3-27-17(26)21-10-8-20(9-11-21)14(23)12-22-15(24)18(19-16(22)25)7-5-4-6-13(18)2/h13H,3-12H2,1-2H3,(H,19,25)
InChIKeyDXAPTFJIJXGBGS-UHFFFAOYSA-N
XLogP0.79
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate with MolForge

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Related Compounds

Methyl 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 2085375
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 16310785
6-Methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16310834
6-Methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16324972
Tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate
CID 17393950
Ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 2495014
3-[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622709
N-cyclohexyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3511996
Ethyl 4-(2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-YL}acetamido)piperidine-1-carboxylate
CID 33078430
3-[2-(3-Methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 45644278
Ethyl 4-(2-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-YL}acetamido)piperidine-1-carboxylate
CID 51215115
Ethyl 4-(2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-YL}acetamido)piperidine-1-carboxylate
CID 83273608

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate (CID 16812329) is ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)CC1.
What is the InChIKey of ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is DXAPTFJIJXGBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-3-27-17(26)21-10-8-20(9-11-21)14(23)12-22-15(24)18(19-16(22)25)7-5-4-6-13(18)2/h13H,3-12H2,1-2H3,(H,19,25).
What are the key properties of ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 16812329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).