(6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H32N4O — CID 95870785

About (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95870785) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 95870785
• Molecular Formula: C20H32N4O
• Molecular Weight: 344.50 g/mol
• Exact Mass: 344.26
• IUPAC Name: (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: CN(C)CCN1C[C@@]2(CCCN(CCc3ccccn3)C2)CCC1=O
• InChI: InChI=1S/C20H32N4O/c1-22(2)14-15-24-17-20(10-7-19(24)25)9-5-12-23(16-20)13-8-18-6-3-4-11-21-18/h3-4,6,11H,5,7-10,12-17H2,1-2H3/t20-/m0/s1
• InChIKey: QDQFYPBQXNNVBH-FQEVSTJZSA-N
• XLogP: 1.89
• TPSA: 39.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.50
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95870785) is (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one is CN(C)CCN1C[C@@]2(CCCN(CCc3ccccn3)C2)CCC1=O.

What is the InChIKey of (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is QDQFYPBQXNNVBH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H32N4O/c1-22(2)14-15-24-17-20(10-7-19(24)25)9-5-12-23(16-20)13-8-18-6-3-4-11-21-18/h3-4,6,11H,5,7-10,12-17H2,1-2H3/t20-/m0/s1.

What are the key properties of (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.50 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95870785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).