ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate

C19H29N3O6 — CID 108978481

IUPACethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2(C(=O)N3CCC4(CC3)OCCO4)CC2)CC1
InChIInChI=1S/C19H29N3O6/c1-2-26-17(25)22-11-9-21(10-12-22)16(24)18(3-4-18)15(23)20-7-5-19(6-8-20)27-13-14-28-19/h2-14H2,1H3
InChIKeyCMFGBSWXDGURIA-UHFFFAOYSA-N
MW395.46 g/mol
LogP0.43
Rot. Bonds3

About ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate

ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate (PubChem CID 108978481) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate
PubChem CID108978481
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Nameethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2(C(=O)N3CCC4(CC3)OCCO4)CC2)CC1
InChIInChI=1S/C19H29N3O6/c1-2-26-17(25)22-11-9-21(10-12-22)16(24)18(3-4-18)15(23)20-7-5-19(6-8-20)27-13-14-28-19/h2-14H2,1H3
InChIKeyCMFGBSWXDGURIA-UHFFFAOYSA-N
XLogP0.43
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

Ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 69986919
tert-butyl (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 70877878
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942731
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108944358
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944534
1-(4-Acetylpiperazin-1-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione
CID 108944885
Ethyl 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108949985
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108950002
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione
CID 108958775
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108959148
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959851
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108960713

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate (CID 108978481) is ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2(C(=O)N3CCC4(CC3)OCCO4)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The InChIKey is CMFGBSWXDGURIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O6/c1-2-26-17(25)22-11-9-21(10-12-22)16(24)18(3-4-18)15(23)20-7-5-19(6-8-20)27-13-14-28-19/h2-14H2,1H3.
What are the key properties of ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 108978481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).