[3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

C20H25N7O — CID 97281209

About [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

[3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 97281209) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 97281209
• Molecular Formula: C20H25N7O
• Molecular Weight: 379.47 g/mol
• Exact Mass: 379.21
• IUPAC Name: [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
• SMILES: Cc1nnnn1-c1cccc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c1
• InChI: InChI=1S/C20H25N7O/c1-14(2)26-11-9-21-19(26)17-7-5-10-25(13-17)20(28)16-6-4-8-18(12-16)27-15(3)22-23-24-27/h4,6,8-9,11-12,14,17H,5,7,10,13H2,1-3H3/t17-/m1/s1
• InChIKey: QJMQUVXORVXSOI-QGZVFWFLSA-N
• XLogP: 2.77
• TPSA: 81.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.47
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (CID 97281209) is [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is Cc1nnnn1-c1cccc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c1.

What is the InChIKey of [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is QJMQUVXORVXSOI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N7O/c1-14(2)26-11-9-21-19(26)17-7-5-10-25(13-17)20(28)16-6-4-8-18(12-16)27-15(3)22-23-24-27/h4,6,8-9,11-12,14,17H,5,7,10,13H2,1-3H3/t17-/m1/s1.

What are the key properties of [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

[3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 379.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97281209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).