1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C22H26N6O2 — CID 92616535

About 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 92616535) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
• PubChem CID: 92616535
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
• SMILES: COc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)CCn4cnnn4)C3)nc2)c1
• InChI: InChI=1S/C22H26N6O2/c1-30-20-6-2-4-17(13-20)12-18-7-8-21(23-14-18)19-5-3-10-27(15-19)22(29)9-11-28-16-24-25-26-28/h2,4,6-8,13-14,16,19H,3,5,9-12,15H2,1H3/t19-/m1/s1
• InChIKey: UVJXYGLAFUZVQS-LJQANCHMSA-N
• XLogP: 2.46
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?

The IUPAC name of 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 92616535) is 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

What is the SMILES notation for 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?

The canonical SMILES for 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is COc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)CCn4cnnn4)C3)nc2)c1.

What is the InChIKey of 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?

The InChIKey is UVJXYGLAFUZVQS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-30-20-6-2-4-17(13-20)12-18-7-8-21(23-14-18)19-5-3-10-27(15-19)22(29)9-11-28-16-24-25-26-28/h2,4,6-8,13-14,16,19H,3,5,9-12,15H2,1H3/t19-/m1/s1.

What are the key properties of 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?

1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 406.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 92616535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).