1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C18H22N8O — CID 97117065

About 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 97117065) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
• PubChem CID: 97117065
• Molecular Formula: C18H22N8O
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.19
• IUPAC Name: 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
• SMILES: O=C(CCn1cnnn1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1
• InChI: InChI=1S/C18H22N8O/c27-17(5-10-26-14-21-22-23-26)24-9-1-2-16(13-24)18-20-8-11-25(18)12-15-3-6-19-7-4-15/h3-4,6-8,11,14,16H,1-2,5,9-10,12-13H2/t16-/m1/s1
• InChIKey: LMFZBZJUVUMALW-MRXNPFEDSA-N
• XLogP: 1.11
• TPSA: 94.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?

The IUPAC name of 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 97117065) is 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

What is the SMILES notation for 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?

The canonical SMILES for 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is O=C(CCn1cnnn1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1.

What is the InChIKey of 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?

The InChIKey is LMFZBZJUVUMALW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N8O/c27-17(5-10-26-14-21-22-23-26)24-9-1-2-16(13-24)18-20-8-11-25(18)12-15-3-6-19-7-4-15/h3-4,6-8,11,14,16H,1-2,5,9-10,12-13H2/t16-/m1/s1.

What are the key properties of 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?

1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 366.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 97117065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).