(4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone

C20H29ClN6O — CID 53203356

About (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone

(4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone (PubChem CID 53203356) has the molecular formula C20H29ClN6O and a molecular weight of 404.95 g/mol. Its IUPAC name is (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
• PubChem CID: 53203356
• Molecular Formula: C20H29ClN6O
• Molecular Weight: 404.95 g/mol
• Exact Mass: 404.21
• IUPAC Name: (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
• SMILES: CCCCN1CCN(C(=O)C2CCCN(c3nnc4ccc(Cl)cn34)C2)CC1
• InChI: InChI=1S/C20H29ClN6O/c1-2-3-8-24-10-12-25(13-11-24)19(28)16-5-4-9-26(14-16)20-23-22-18-7-6-17(21)15-27(18)20/h6-7,15-16H,2-5,8-14H2,1H3
• InChIKey: KZZHKWGQPYNODH-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 56.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.95
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?

The IUPAC name of (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone (CID 53203356) is (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone.

What is the SMILES notation for (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?

The canonical SMILES for (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone is CCCCN1CCN(C(=O)C2CCCN(c3nnc4ccc(Cl)cn34)C2)CC1.

What is the InChIKey of (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?

The InChIKey is KZZHKWGQPYNODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN6O/c1-2-3-8-24-10-12-25(13-11-24)19(28)16-5-4-9-26(14-16)20-23-22-18-7-6-17(21)15-27(18)20/h6-7,15-16H,2-5,8-14H2,1H3.

What are the key properties of (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?

(4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone has a molecular weight of 404.95 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 53203356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).