9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C23H34N4O2 — CID 72850711

About 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72850711) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72850711
• Molecular Formula: C23H34N4O2
• Molecular Weight: 398.55 g/mol
• Exact Mass: 398.27
• IUPAC Name: 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)CCC2CCCC2)CC3)cn1
• InChI: InChI=1S/C23H34N4O2/c1-18-14-25-20(15-24-18)16-27-17-23(9-8-22(27)29)10-12-26(13-11-23)21(28)7-6-19-4-2-3-5-19/h14-15,19H,2-13,16-17H2,1H3
• InChIKey: YXAOETXXDUGNRM-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.55
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72850711) is 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)CCC2CCCC2)CC3)cn1.

What is the InChIKey of 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is YXAOETXXDUGNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-18-14-25-20(15-24-18)16-27-17-23(9-8-22(27)29)10-12-26(13-11-23)21(28)7-6-19-4-2-3-5-19/h14-15,19H,2-13,16-17H2,1H3.

What are the key properties of 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 398.55 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72850711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).