ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate

C18H30N4O3 — CID 46993608

IUPACethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)N=C(C(C)C)NC3=O)CC1
InChIInChI=1S/C18H30N4O3/c1-4-25-17(24)22-9-5-14(6-10-22)21-11-7-18(8-12-21)16(23)19-15(20-18)13(2)3/h13-14H,4-12H2,1-3H3,(H,19,20,23)
InChIKeyDESABDNYXWYQMR-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.63
Rot. Bonds3

About ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate

ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate (PubChem CID 46993608) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate
PubChem CID46993608
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Nameethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)N=C(C(C)C)NC3=O)CC1
InChIInChI=1S/C18H30N4O3/c1-4-25-17(24)22-9-5-14(6-10-22)21-11-7-18(8-12-21)16(23)19-15(20-18)13(2)3/h13-14H,4-12H2,1-3H3,(H,19,20,23)
InChIKeyDESABDNYXWYQMR-UHFFFAOYSA-N
XLogP1.63
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-(3-Methylbutyl)-8-[(4-methylpiperazin-1-yl)carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46999670
Ethyl 2-(3-methylbutyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 50950780
Methyl 2-(3-methylbutyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 50954799
2-(3-Methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46985749
N-{1-[(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)carbonyl]-2-methylpropyl}acetamide
CID 46982582
Tert-butyl 2-(aminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 57908096
Tert-butyl 4-(2-methyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
CID 59279763
Tert-butyl 4-(4-oxo-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
CID 59373387
Tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
CID 59373410
Tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 66817503
Tert-butyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 70933103
Methyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 89993676

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate (CID 46993608) is ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC3(CC2)N=C(C(C)C)NC3=O)CC1.
What is the InChIKey of ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate?
The InChIKey is DESABDNYXWYQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-4-25-17(24)22-9-5-14(6-10-22)21-11-7-18(8-12-21)16(23)19-15(20-18)13(2)3/h13-14H,4-12H2,1-3H3,(H,19,20,23).
What are the key properties of ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate?
ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)piperidine-1-carboxylate is sourced from PubChem (CID 46993608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).