2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C17H25ClN4O2 — CID 135144853

About 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 135144853) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
• PubChem CID: 135144853
• Molecular Formula: C17H25ClN4O2
• Molecular Weight: 352.87 g/mol
• Exact Mass: 352.17
• IUPAC Name: 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
• SMILES: Cn1c(Cl)cnc1C1CCN(C2CC3(CCN(C(=O)O)C3)C2)CC1
• InChI: InChI=1S/C17H25ClN4O2/c1-20-14(18)10-19-15(20)12-2-5-21(6-3-12)13-8-17(9-13)4-7-22(11-17)16(23)24/h10,12-13H,2-9,11H2,1H3,(H,23,24)
• InChIKey: PQCBCHLWEZPXEY-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 61.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.87
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?

The IUPAC name of 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 135144853) is 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

What is the SMILES notation for 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?

The canonical SMILES for 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is Cn1c(Cl)cnc1C1CCN(C2CC3(CCN(C(=O)O)C3)C2)CC1.

What is the InChIKey of 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?

The InChIKey is PQCBCHLWEZPXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-20-14(18)10-19-15(20)12-2-5-21(6-3-12)13-8-17(9-13)4-7-22(11-17)16(23)24/h10,12-13H,2-9,11H2,1H3,(H,23,24).

What are the key properties of 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?

2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 352.87 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 135144853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).