7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol

C19H29N3O3 — CID 156607297

IUPAC7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
SMILESOCCOC1CC(O)C12CCN(c1nccc(C3CCCC3)n1)CC2
InChIInChI=1S/C19H29N3O3/c23-11-12-25-17-13-16(24)19(17)6-9-22(10-7-19)18-20-8-5-15(21-18)14-3-1-2-4-14/h5,8,14,16-17,23-24H,1-4,6-7,9-13H2
InChIKeyRKOBWUKGKFIXRU-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.86
Rot. Bonds5

About 7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol

7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 156607297) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
PubChem CID156607297
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
SMILESOCCOC1CC(O)C12CCN(c1nccc(C3CCCC3)n1)CC2
InChIInChI=1S/C19H29N3O3/c23-11-12-25-17-13-16(24)19(17)6-9-22(10-7-19)18-20-8-5-15(21-18)14-3-1-2-4-14/h5,8,14,16-17,23-24H,1-4,6-7,9-13H2
InChIKeyRKOBWUKGKFIXRU-UHFFFAOYSA-N
XLogP1.86
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol (CID 156607297) is 7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol is OCCOC1CC(O)C12CCN(c1nccc(C3CCCC3)n1)CC2.
What is the InChIKey of 7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is RKOBWUKGKFIXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-11-12-25-17-13-16(24)19(17)6-9-22(10-7-19)18-20-8-5-15(21-18)14-3-1-2-4-14/h5,8,14,16-17,23-24H,1-4,6-7,9-13H2.
What are the key properties of 7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol?
7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 347.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 156607297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).