(7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone

C14H22N4O3 — CID 128525836

IUPAC(7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone
SMILESCCC1CN(C(=O)c2cnnn2CC)CC2(CCOC2)O1
InChIInChI=1S/C14H22N4O3/c1-3-11-8-17(9-14(21-11)5-6-20-10-14)13(19)12-7-15-16-18(12)4-2/h7,11H,3-6,8-10H2,1-2H3
InChIKeyXNHBUIWEPVJTOO-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.71
Rot. Bonds3

About (7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone

(7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone (PubChem CID 128525836) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone
PubChem CID128525836
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name(7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone
SMILESCCC1CN(C(=O)c2cnnn2CC)CC2(CCOC2)O1
InChIInChI=1S/C14H22N4O3/c1-3-11-8-17(9-14(21-11)5-6-20-10-14)13(19)12-7-15-16-18(12)4-2/h7,11H,3-6,8-10H2,1-2H3
InChIKeyXNHBUIWEPVJTOO-UHFFFAOYSA-N
XLogP0.71
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone?
The IUPAC name of (7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone (CID 128525836) is (7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone.
What is the SMILES notation for (7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone?
The canonical SMILES for (7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone is CCC1CN(C(=O)c2cnnn2CC)CC2(CCOC2)O1.
What is the InChIKey of (7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone?
The InChIKey is XNHBUIWEPVJTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-11-8-17(9-14(21-11)5-6-20-10-14)13(19)12-7-15-16-18(12)4-2/h7,11H,3-6,8-10H2,1-2H3.
What are the key properties of (7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone?
(7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone is sourced from PubChem (CID 128525836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).