4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one

C23H32N4O3 — CID 136850408

About 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one

4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 136850408) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
• PubChem CID: 136850408
• Molecular Formula: C23H32N4O3
• Molecular Weight: 412.53 g/mol
• Exact Mass: 412.25
• IUPAC Name: 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
• SMILES: COc1cc(C)c(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1C
• InChI: InChI=1S/C23H32N4O3/c1-16-12-21(29-3)17(2)11-19(16)15-26-6-4-5-18(14-26)20-13-22(28)25-23(24-20)27-7-9-30-10-8-27/h11-13,18H,4-10,14-15H2,1-3H3,(H,24,25,28)/t18-/m1/s1
• InChIKey: USNGWXMCOANATR-GOSISDBHSA-N
• XLogP: 2.61
• TPSA: 70.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.53
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?

The IUPAC name of 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 136850408) is 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one.

What is the SMILES notation for 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?

The canonical SMILES for 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one is COc1cc(C)c(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1C.

What is the InChIKey of 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?

The InChIKey is USNGWXMCOANATR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-16-12-21(29-3)17(2)11-19(16)15-26-6-4-5-18(14-26)20-13-22(28)25-23(24-20)27-7-9-30-10-8-27/h11-13,18H,4-10,14-15H2,1-3H3,(H,24,25,28)/t18-/m1/s1.

What are the key properties of 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?

4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 412.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136850408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).