7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

C15H23N5O2 — CID 131642608

About 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131642608) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 131642608
• Molecular Formula: C15H23N5O2
• Molecular Weight: 305.38 g/mol
• Exact Mass: 305.19
• IUPAC Name: 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: CN(C)CC(=O)N1CCC2(CCN(c3cnn(C)c3)C2=O)C1
• InChI: InChI=1S/C15H23N5O2/c1-17(2)10-13(21)19-6-4-15(11-19)5-7-20(14(15)22)12-8-16-18(3)9-12/h8-9H,4-7,10-11H2,1-3H3
• InChIKey: TXSRLVJNCYVTEG-UHFFFAOYSA-N
• XLogP: -0.06
• TPSA: 61.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.38
LogP ≤ 5	-0.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131642608) is 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is CN(C)CC(=O)N1CCC2(CCN(c3cnn(C)c3)C2=O)C1.

What is the InChIKey of 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is TXSRLVJNCYVTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-17(2)10-13(21)19-6-4-15(11-19)5-7-20(14(15)22)12-8-16-18(3)9-12/h8-9H,4-7,10-11H2,1-3H3.

What are the key properties of 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 305.38 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131642608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).