[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone

C22H31NO4 — CID 70783247

IUPAC[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H31NO4/c24-14-15-27-19-16-18(25)22(19)10-12-23(13-11-22)20(26)21(8-4-5-9-21)17-6-2-1-3-7-17/h1-3,6-7,18-19,24-25H,4-5,8-16H2/t18-,19+/m1/s1
InChIKeyYDYHXEONKONOEC-MOPGFXCFSA-N
MW373.49 g/mol
LogP2.25
Rot. Bonds5

About [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone

[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone (PubChem CID 70783247) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone
PubChem CID70783247
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Name[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H31NO4/c24-14-15-27-19-16-18(25)22(19)10-12-23(13-11-22)20(26)21(8-4-5-9-21)17-6-2-1-3-7-17/h1-3,6-7,18-19,24-25H,4-5,8-16H2/t18-,19+/m1/s1
InChIKeyYDYHXEONKONOEC-MOPGFXCFSA-N
XLogP2.25
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone 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 [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone?
The IUPAC name of [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone (CID 70783247) is [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone?
The canonical SMILES for [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone is O=C(N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO)C1(c2ccccc2)CCCC1.
What is the InChIKey of [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone?
The InChIKey is YDYHXEONKONOEC-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H31NO4/c24-14-15-27-19-16-18(25)22(19)10-12-23(13-11-22)20(26)21(8-4-5-9-21)17-6-2-1-3-7-17/h1-3,6-7,18-19,24-25H,4-5,8-16H2/t18-,19+/m1/s1.
What are the key properties of [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone?
[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone has a molecular weight of 373.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 70783247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).