N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide

C21H32N4O2 — CID 70743166

About N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide

N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide (PubChem CID 70743166) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide.

Molecular Properties

• Compound Name: N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide
• PubChem CID: 70743166
• Molecular Formula: C21H32N4O2
• Molecular Weight: 372.51 g/mol
• Exact Mass: 372.25
• IUPAC Name: N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide
• SMILES: CCNC(=O)CCN1CCCC2(CCC(=O)N(CCc3ccccn3)C2)C1
• InChI: InChI=1S/C21H32N4O2/c1-2-22-19(26)9-14-24-13-5-10-21(16-24)11-7-20(27)25(17-21)15-8-18-6-3-4-12-23-18/h3-4,6,12H,2,5,7-11,13-17H2,1H3,(H,22,26)
• InChIKey: SDSGSMMTZVJIKL-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.51
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide?

The IUPAC name of N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide (CID 70743166) is N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide.

What is the SMILES notation for N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide?

The canonical SMILES for N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide is CCNC(=O)CCN1CCCC2(CCC(=O)N(CCc3ccccn3)C2)C1.

What is the InChIKey of N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide?

The InChIKey is SDSGSMMTZVJIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-2-22-19(26)9-14-24-13-5-10-21(16-24)11-7-20(27)25(17-21)15-8-18-6-3-4-12-23-18/h3-4,6,12H,2,5,7-11,13-17H2,1H3,(H,22,26).

What are the key properties of N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide?

N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide has a molecular weight of 372.51 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide is sourced from PubChem (CID 70743166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).