3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H35N5O4 — CID 123345605

About 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 123345605) has the molecular formula C23H35N5O4 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 123345605
• Molecular Formula: C23H35N5O4
• Molecular Weight: 445.56 g/mol
• Exact Mass: 445.27
• IUPAC Name: 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC(C)C1COC(=O)N1c1ccnc(NC(C)C2CCN(C(=O)C3CCOCC3)CC2)n1
• InChI: InChI=1S/C23H35N5O4/c1-15(2)19-14-32-23(30)28(19)20-4-9-24-22(26-20)25-16(3)17-5-10-27(11-6-17)21(29)18-7-12-31-13-8-18/h4,9,15-19H,5-8,10-14H2,1-3H3,(H,24,25,26)
• InChIKey: YTFYXNDTWVFFED-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 96.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.56
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 123345605) is 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1c1ccnc(NC(C)C2CCN(C(=O)C3CCOCC3)CC2)n1.

What is the InChIKey of 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is YTFYXNDTWVFFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4/c1-15(2)19-14-32-23(30)28(19)20-4-9-24-22(26-20)25-16(3)17-5-10-27(11-6-17)21(29)18-7-12-31-13-8-18/h4,9,15-19H,5-8,10-14H2,1-3H3,(H,24,25,26).

What are the key properties of 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 445.56 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123345605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).