9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one

C22H29ClN2O3 — CID 97113341

About 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one

9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97113341) has the molecular formula C22H29ClN2O3 and a molecular weight of 404.94 g/mol. Its IUPAC name is 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97113341
• Molecular Formula: C22H29ClN2O3
• Molecular Weight: 404.94 g/mol
• Exact Mass: 404.19
• IUPAC Name: 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: O=C([C@H](O)c1ccc(Cl)cc1)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1
• InChI: InChI=1S/C22H29ClN2O3/c23-17-7-5-16(6-8-17)20(27)21(28)24-13-11-22(12-14-24)10-9-19(26)25(15-22)18-3-1-2-4-18/h5-8,18,20,27H,1-4,9-15H2/t20-/m1/s1
• InChIKey: OWZVZYKTAOOQIB-HXUWFJFHSA-N
• XLogP: 3.55
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.94
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97113341) is 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one is O=C([C@H](O)c1ccc(Cl)cc1)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1.

What is the InChIKey of 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is OWZVZYKTAOOQIB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29ClN2O3/c23-17-7-5-16(6-8-17)20(27)21(28)24-13-11-22(12-14-24)10-9-19(26)25(15-22)18-3-1-2-4-18/h5-8,18,20,27H,1-4,9-15H2/t20-/m1/s1.

What are the key properties of 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one?

9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 404.94 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97113341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).