2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C18H22N8O — CID 97197612

About 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97197612) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 97197612
• Molecular Formula: C18H22N8O
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.19
• IUPAC Name: 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• SMILES: Cc1nnnn1CC(=O)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1
• InChI: InChI=1S/C18H22N8O/c1-14-21-22-23-26(14)13-17(27)24-8-3-5-16(12-24)18-20-7-9-25(18)11-15-4-2-6-19-10-15/h2,4,6-7,9-10,16H,3,5,8,11-13H2,1H3/t16-/m1/s1
• InChIKey: CEJIRUNCPJAMGA-MRXNPFEDSA-N
• XLogP: 1.03
• TPSA: 94.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97197612) is 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is Cc1nnnn1CC(=O)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1.

What is the InChIKey of 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is CEJIRUNCPJAMGA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N8O/c1-14-21-22-23-26(14)13-17(27)24-8-3-5-16(12-24)18-20-7-9-25(18)11-15-4-2-6-19-10-15/h2,4,6-7,9-10,16H,3,5,8,11-13H2,1H3/t16-/m1/s1.

What are the key properties of 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 366.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97197612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).