ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate

C17H26N6O4 — CID 112956468

IUPACethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nncc(N3CCC4(CC3)OCCO4)n2)CC1
InChIInChI=1S/C17H26N6O4/c1-2-25-16(24)23-9-7-22(8-10-23)15-19-14(13-18-20-15)21-5-3-17(4-6-21)26-11-12-27-17/h13H,2-12H2,1H3
InChIKeyFKTNQCREAURIKG-UHFFFAOYSA-N
MW378.43 g/mol
LogP0.49
Rot. Bonds3

About ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate

ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate (PubChem CID 112956468) has the molecular formula C17H26N6O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
PubChem CID112956468
Molecular FormulaC17H26N6O4
Molecular Weight378.43 g/mol
Exact Mass378.20
IUPAC Nameethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nncc(N3CCC4(CC3)OCCO4)n2)CC1
InChIInChI=1S/C17H26N6O4/c1-2-25-16(24)23-9-7-22(8-10-23)15-19-14(13-18-20-15)21-5-3-17(4-6-21)26-11-12-27-17/h13H,2-12H2,1H3
InChIKeyFKTNQCREAURIKG-UHFFFAOYSA-N
XLogP0.49
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112941091
ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978481
ethyl 4-[3-(butylamino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112940126
1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947029
ethyl 4-[5-(2,3,4-trifluoroanilino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957184
ethyl 4-[5-(4-chloroanilino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957135
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938548
ethyl 4-[5-[3-(dimethylamino)propylamino]-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112945459
ethyl 4-[5-(4-methoxycarbonylanilino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957164
ethyl 4-[5-(pyridin-4-ylmethylamino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112952493
ethyl 4-[3-(2,4,6-trimethylanilino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112957031

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate (CID 112956468) is ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nncc(N3CCC4(CC3)OCCO4)n2)CC1.
What is the InChIKey of ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate?
The InChIKey is FKTNQCREAURIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O4/c1-2-25-16(24)23-9-7-22(8-10-23)15-19-14(13-18-20-15)21-5-3-17(4-6-21)26-11-12-27-17/h13H,2-12H2,1H3.
What are the key properties of ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate?
ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 112956468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).