2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

C25H38N4O — CID 96572910

About 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 96572910) has the molecular formula C25H38N4O and a molecular weight of 410.61 g/mol. Its IUPAC name is 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
• PubChem CID: 96572910
• Molecular Formula: C25H38N4O
• Molecular Weight: 410.61 g/mol
• Exact Mass: 410.30
• IUPAC Name: 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
• SMILES: O=C([C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCC2(CCCC2)C1
• InChI: InChI=1S/C25H38N4O/c30-24(29-16-11-25(20-29)9-1-2-10-25)22-6-4-13-28(19-22)23-7-14-27(15-8-23)18-21-5-3-12-26-17-21/h3,5,12,17,22-23H,1-2,4,6-11,13-16,18-20H2/t22-/m0/s1
• InChIKey: WUVAGZCQZBCYTP-QFIPXVFZSA-N
• XLogP: 3.55
• TPSA: 39.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.61
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?

The IUPAC name of 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 96572910) is 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

What is the SMILES notation for 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?

The canonical SMILES for 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is O=C([C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCC2(CCCC2)C1.

What is the InChIKey of 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?

The InChIKey is WUVAGZCQZBCYTP-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H38N4O/c30-24(29-16-11-25(20-29)9-1-2-10-25)22-6-4-13-28(19-22)23-7-14-27(15-8-23)18-21-5-3-12-26-17-21/h3,5,12,17,22-23H,1-2,4,6-11,13-16,18-20H2/t22-/m0/s1.

What are the key properties of 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?

2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 410.61 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 96572910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).