cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C28H30N4O — CID 45220263

About cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 45220263) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
• PubChem CID: 45220263
• Molecular Formula: C28H30N4O
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.24
• IUPAC Name: cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
• SMILES: Cc1ccccc1-c1cnc(-c2ccncc2)nc1C1CCCN(C(=O)C2=CCCCC2)C1
• InChI: InChI=1S/C28H30N4O/c1-20-8-5-6-12-24(20)25-18-30-27(21-13-15-29-16-14-21)31-26(25)23-11-7-17-32(19-23)28(33)22-9-3-2-4-10-22/h5-6,8-9,12-16,18,23H,2-4,7,10-11,17,19H2,1H3
• InChIKey: RNXYTCPSXFNESD-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 58.98 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

The IUPAC name of cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 45220263) is cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

What is the SMILES notation for cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

The canonical SMILES for cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is Cc1ccccc1-c1cnc(-c2ccncc2)nc1C1CCCN(C(=O)C2=CCCCC2)C1.

What is the InChIKey of cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

The InChIKey is RNXYTCPSXFNESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-20-8-5-6-12-24(20)25-18-30-27(21-13-15-29-16-14-21)31-26(25)23-11-7-17-32(19-23)28(33)22-9-3-2-4-10-22/h5-6,8-9,12-16,18,23H,2-4,7,10-11,17,19H2,1H3.

What are the key properties of cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 438.58 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexen-1-yl-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 45220263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).