(6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H23N3O3 — CID 97121102

About (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97121102) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97121102
• Molecular Formula: C20H23N3O3
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.17
• IUPAC Name: (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: O=C1CC[C@@]2(CCCN(C(=O)c3ccoc3)C2)CN1Cc1ccncc1
• InChI: InChI=1S/C20H23N3O3/c24-18-2-7-20(15-23(18)12-16-3-8-21-9-4-16)6-1-10-22(14-20)19(25)17-5-11-26-13-17/h3-5,8-9,11,13H,1-2,6-7,10,12,14-15H2/t20-/m1/s1
• InChIKey: CFZGWBRGRWVRSU-HXUWFJFHSA-N
• XLogP: 2.72
• TPSA: 66.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97121102) is (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(C(=O)c3ccoc3)C2)CN1Cc1ccncc1.

What is the InChIKey of (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is CFZGWBRGRWVRSU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18-2-7-20(15-23(18)12-16-3-8-21-9-4-16)6-1-10-22(14-20)19(25)17-5-11-26-13-17/h3-5,8-9,11,13H,1-2,6-7,10,12,14-15H2/t20-/m1/s1.

What are the key properties of (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 353.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97121102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).