(6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H32N4O2 — CID 95871259

About (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95871259) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 95871259
• Molecular Formula: C21H32N4O2
• Molecular Weight: 372.51 g/mol
• Exact Mass: 372.25
• IUPAC Name: (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: CC(C)N(C)CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1
• InChI: InChI=1S/C21H32N4O2/c1-17(2)23(3)14-20(27)24-11-5-8-21(15-24)9-7-19(26)25(16-21)13-18-6-4-10-22-12-18/h4,6,10,12,17H,5,7-9,11,13-16H2,1-3H3/t21-/m0/s1
• InChIKey: XZGBMKIQQUBWIX-NRFANRHFSA-N
• XLogP: 2.15
• 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	372.51
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95871259) is (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is CC(C)N(C)CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1.

What is the InChIKey of (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is XZGBMKIQQUBWIX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17(2)23(3)14-20(27)24-11-5-8-21(15-24)9-7-19(26)25(16-21)13-18-6-4-10-22-12-18/h4,6,10,12,17H,5,7-9,11,13-16H2,1-3H3/t21-/m0/s1.

What are the key properties of (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95871259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).