1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one

C20H22N6O2 — CID 97273855

About 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one

1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one (PubChem CID 97273855) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
• PubChem CID: 97273855
• Molecular Formula: C20H22N6O2
• Molecular Weight: 378.44 g/mol
• Exact Mass: 378.18
• IUPAC Name: 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
• SMILES: O=C(Cn1cccnc1=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1
• InChI: InChI=1S/C20H22N6O2/c27-18(15-26-11-4-8-23-20(26)28)24-10-3-5-16(13-24)19-22-9-12-25(19)14-17-6-1-2-7-21-17/h1-2,4,6-9,11-12,16H,3,5,10,13-15H2/t16-/m0/s1
• InChIKey: CJXFKAXNEKHOFE-INIZCTEOSA-N
• XLogP: 1.29
• TPSA: 85.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.44
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one?

The IUPAC name of 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one (CID 97273855) is 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one.

What is the SMILES notation for 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one?

The canonical SMILES for 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1.

What is the InChIKey of 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one?

The InChIKey is CJXFKAXNEKHOFE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-18(15-26-11-4-8-23-20(26)28)24-10-3-5-16(13-24)19-22-9-12-25(19)14-17-6-1-2-7-21-17/h1-2,4,6-9,11-12,16H,3,5,10,13-15H2/t16-/m0/s1.

What are the key properties of 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one?

1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one has a molecular weight of 378.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one is sourced from PubChem (CID 97273855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).