2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C27H35ClN2O2 — CID 69429885

About 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 69429885) has the molecular formula C27H35ClN2O2 and a molecular weight of 455.04 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
• PubChem CID: 69429885
• Molecular Formula: C27H35ClN2O2
• Molecular Weight: 455.04 g/mol
• Exact Mass: 454.24
• IUPAC Name: 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
• SMILES: CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)Cc1ccc(Cl)cc1)C2
• InChI: InChI=1S/C27H35ClN2O2/c1-21(2)19-32-25-6-4-3-5-23(25)18-29-14-11-27(12-15-29)13-16-30(20-27)26(31)17-22-7-9-24(28)10-8-22/h3-10,21H,11-20H2,1-2H3
• InChIKey: LRNXENFTHQGJSA-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.04
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The IUPAC name of 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 69429885) is 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

What is the SMILES notation for 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The canonical SMILES for 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)Cc1ccc(Cl)cc1)C2.

What is the InChIKey of 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The InChIKey is LRNXENFTHQGJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN2O2/c1-21(2)19-32-25-6-4-3-5-23(25)18-29-14-11-27(12-15-29)13-16-30(20-27)26(31)17-22-7-9-24(28)10-8-22/h3-10,21H,11-20H2,1-2H3.

What are the key properties of 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 455.04 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 69429885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).