2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

C22H32N6O — CID 135963374

About 2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 135963374) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
• PubChem CID: 135963374
• Molecular Formula: C22H32N6O
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.26
• IUPAC Name: 2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
• SMILES: CC(C)c1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1
• InChI: InChI=1S/C22H32N6O/c1-16(2)21-23-12-17(13-24-21)14-27-8-6-7-18(15-27)19-11-20(29)26-22(25-19)28-9-4-3-5-10-28/h11-13,16,18H,3-10,14-15H2,1-2H3,(H,25,26,29)/t18-/m1/s1
• InChIKey: MXSJMMWZFVEEAY-GOSISDBHSA-N
• XLogP: 3.05
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 135963374) is 2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.

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

The canonical SMILES for 2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is CC(C)c1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1.

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

The InChIKey is MXSJMMWZFVEEAY-GOSISDBHSA-N. The full InChI is InChI=1S/C22H32N6O/c1-16(2)21-23-12-17(13-24-21)14-27-8-6-7-18(15-27)19-11-20(29)26-22(25-19)28-9-4-3-5-10-28/h11-13,16,18H,3-10,14-15H2,1-2H3,(H,25,26,29)/t18-/m1/s1.

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

2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 396.54 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135963374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).