(6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H29N7O — CID 97137999

About (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97137999) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97137999
• Molecular Formula: C20H29N7O
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.24
• IUPAC Name: (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: O=C1CC[C@@]2(CCCN(CCCn3cnnn3)C2)CN1CCc1ccccn1
• InChI: InChI=1S/C20H29N7O/c28-19-6-9-20(16-26(19)14-7-18-5-1-2-10-21-18)8-3-11-25(15-20)12-4-13-27-17-22-23-24-27/h1-2,5,10,17H,3-4,6-9,11-16H2/t20-/m1/s1
• InChIKey: XYBSJKACODOESI-HXUWFJFHSA-N
• XLogP: 1.41
• TPSA: 80.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97137999) is (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(CCCn3cnnn3)C2)CN1CCc1ccccn1.

What is the InChIKey of (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is XYBSJKACODOESI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29N7O/c28-19-6-9-20(16-26(19)14-7-18-5-1-2-10-21-18)8-3-11-25(15-20)12-4-13-27-17-22-23-24-27/h1-2,5,10,17H,3-4,6-9,11-16H2/t20-/m1/s1.

What are the key properties of (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 383.50 g/mol, XLogP of 1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97137999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).