2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

C19H27N3O4 — CID 124893300

IUPAC2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
SMILESCc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)COC2CCCC2)C3)n1
InChIInChI=1S/C19H27N3O4/c1-14-6-8-20-18(21-14)26-16-7-9-25-19(10-16)12-22(13-19)17(23)11-24-15-4-2-3-5-15/h6,8,15-16H,2-5,7,9-13H2,1H3/t16-/m1/s1
InChIKeyFCIKBEOQNFEUQB-MRXNPFEDSA-N
MW361.44 g/mol
LogP1.88
Rot. Bonds5

About 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 124893300) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
PubChem CID124893300
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
SMILESCc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)COC2CCCC2)C3)n1
InChIInChI=1S/C19H27N3O4/c1-14-6-8-20-18(21-14)26-16-7-9-25-19(10-16)12-22(13-19)17(23)11-24-15-4-2-3-5-15/h6,8,15-16H,2-5,7,9-13H2,1H3/t16-/m1/s1
InChIKeyFCIKBEOQNFEUQB-MRXNPFEDSA-N
XLogP1.88
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (CID 124893300) is 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)COC2CCCC2)C3)n1.
What is the InChIKey of 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is FCIKBEOQNFEUQB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14-6-8-20-18(21-14)26-16-7-9-25-19(10-16)12-22(13-19)17(23)11-24-15-4-2-3-5-15/h6,8,15-16H,2-5,7,9-13H2,1H3/t16-/m1/s1.
What are the key properties of 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 361.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 124893300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).