1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone

C15H21N3O3 — CID 75391498

IUPAC1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
SMILESO=C(C1CCCc2[nH]ncc21)N1CCCC2(C1)OCCO2
InChIInChI=1S/C15H21N3O3/c19-14(11-3-1-4-13-12(11)9-16-17-13)18-6-2-5-15(10-18)20-7-8-21-15/h9,11H,1-8,10H2,(H,16,17)
InChIKeySIKGJMWKYAKPPY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.20
Rot. Bonds1

About 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone

1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone (PubChem CID 75391498) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
PubChem CID75391498
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
SMILESO=C(C1CCCc2[nH]ncc21)N1CCCC2(C1)OCCO2
InChIInChI=1S/C15H21N3O3/c19-14(11-3-1-4-13-12(11)9-16-17-13)18-6-2-5-15(10-18)20-7-8-21-15/h9,11H,1-8,10H2,(H,16,17)
InChIKeySIKGJMWKYAKPPY-UHFFFAOYSA-N
XLogP1.20
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone (CID 75391498) is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone.
What is the SMILES notation for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The canonical SMILES for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone is O=C(C1CCCc2[nH]ncc21)N1CCCC2(C1)OCCO2.
What is the InChIKey of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The InChIKey is SIKGJMWKYAKPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(11-3-1-4-13-12(11)9-16-17-13)18-6-2-5-15(10-18)20-7-8-21-15/h9,11H,1-8,10H2,(H,16,17).
What are the key properties of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone is sourced from PubChem (CID 75391498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).