8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

C20H28ClN3O2 — CID 154898542

About 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 154898542) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

• Compound Name: 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
• PubChem CID: 154898542
• Molecular Formula: C20H28ClN3O2
• Molecular Weight: 377.92 g/mol
• Exact Mass: 377.19
• IUPAC Name: 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
• SMILES: CNCC(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2.Cl
• InChI: InChI=1S/C20H27N3O2.ClH/c1-21-15-19(25)22-12-9-20(10-13-22)14-18(24)23(16-20)11-5-8-17-6-3-2-4-7-17;/h2-8,21H,9-16H2,1H3;1H/b8-5+
• InChIKey: YCXNWTVWZQHGGR-HAAWTFQLSA-N
• XLogP: 2.18
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.92
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?

The IUPAC name of 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride (CID 154898542) is 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride.

What is the SMILES notation for 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?

The canonical SMILES for 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride is CNCC(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2.Cl.

What is the InChIKey of 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?

The InChIKey is YCXNWTVWZQHGGR-HAAWTFQLSA-N. The full InChI is InChI=1S/C20H27N3O2.ClH/c1-21-15-19(25)22-12-9-20(10-13-22)14-18(24)23(16-20)11-5-8-17-6-3-2-4-7-17;/h2-8,21H,9-16H2,1H3;1H/b8-5+;.

What are the key properties of 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?

8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 154898542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).