1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone

C15H26N6O3 — CID 133120219

IUPAC1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone
SMILESCN(C)CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cn1ncnn1)CC2
InChIInChI=1S/C15H26N6O3/c1-19(2)7-8-24-13-9-12(22)15(13)3-5-20(6-4-15)14(23)10-21-17-11-16-18-21/h11-13,22H,3-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyMWFIPJCHASHQLB-QWHCGFSZSA-N
MW338.41 g/mol
LogP-1.01
Rot. Bonds6

About 1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone

1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone (PubChem CID 133120219) has the molecular formula C15H26N6O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone
PubChem CID133120219
Molecular FormulaC15H26N6O3
Molecular Weight338.41 g/mol
Exact Mass338.21
IUPAC Name1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone
SMILESCN(C)CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cn1ncnn1)CC2
InChIInChI=1S/C15H26N6O3/c1-19(2)7-8-24-13-9-12(22)15(13)3-5-20(6-4-15)14(23)10-21-17-11-16-18-21/h11-13,22H,3-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyMWFIPJCHASHQLB-QWHCGFSZSA-N
XLogP-1.01
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone?
The IUPAC name of 1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone (CID 133120219) is 1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone?
The canonical SMILES for 1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone is CN(C)CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cn1ncnn1)CC2.
What is the InChIKey of 1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone?
The InChIKey is MWFIPJCHASHQLB-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26N6O3/c1-19(2)7-8-24-13-9-12(22)15(13)3-5-20(6-4-15)14(23)10-21-17-11-16-18-21/h11-13,22H,3-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone?
1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone has a molecular weight of 338.41 g/mol, XLogP of -1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(tetrazol-2-yl)ethanone is sourced from PubChem (CID 133120219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).