ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate

C19H31N3O4 — CID 17441739

IUPACethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CN2C(=O)NC3(CCCCCCC3)C2=O)CC1
InChIInChI=1S/C19H31N3O4/c1-2-26-16(23)15-8-12-21(13-9-15)14-22-17(24)19(20-18(22)25)10-6-4-3-5-7-11-19/h15H,2-14H2,1H3,(H,20,25)
InChIKeyDQZONIBFSPXSOT-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.25
Rot. Bonds4

About ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate (PubChem CID 17441739) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate
PubChem CID17441739
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Nameethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CN2C(=O)NC3(CCCCCCC3)C2=O)CC1
InChIInChI=1S/C19H31N3O4/c1-2-26-16(23)15-8-12-21(13-9-15)14-22-17(24)19(20-18(22)25)10-6-4-3-5-7-11-19/h15H,2-14H2,1H3,(H,20,25)
InChIKeyDQZONIBFSPXSOT-UHFFFAOYSA-N
XLogP2.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

3-(2-Morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2583790
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 3000204
Methyl 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 2085375
Methyl 1-[2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 4329589
Ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]butanoate
CID 2578452
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 16305220
Ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 2495014
Ethyl 4-(2',5'-dioxospiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)butanoate;hydrochloride
CID 159190
Ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate
CID 81298550
3-[2-(3-Methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 16275246
3-(2-Lauroyloxyethyl)-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 20510563
2-[8-(2-Acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate
CID 57070194

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate (CID 17441739) is ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CN2C(=O)NC3(CCCCCCC3)C2=O)CC1.
What is the InChIKey of ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate?
The InChIKey is DQZONIBFSPXSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-2-26-16(23)15-8-12-21(13-9-15)14-22-17(24)19(20-18(22)25)10-6-4-3-5-7-11-19/h15H,2-14H2,1H3,(H,20,25).
What are the key properties of ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 17441739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).