2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H30N4O2 — CID 72866096

About 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72866096) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72866096
• Molecular Formula: C21H30N4O2
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.24
• IUPAC Name: 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: CN(CC(=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1)Cc1ccncc1
• InChI: InChI=1S/C21H30N4O2/c1-23(13-17-6-10-22-11-7-17)14-20(27)24-12-2-8-21(15-24)9-5-19(26)25(16-21)18-3-4-18/h6-7,10-11,18H,2-5,8-9,12-16H2,1H3
• InChIKey: MMKGUPQRGWHPIV-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 56.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 72866096) is 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one is CN(CC(=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1)Cc1ccncc1.

What is the InChIKey of 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is MMKGUPQRGWHPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-23(13-17-6-10-22-11-7-17)14-20(27)24-12-2-8-21(15-24)9-5-19(26)25(16-21)18-3-4-18/h6-7,10-11,18H,2-5,8-9,12-16H2,1H3.

What are the key properties of 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.50 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72866096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).