N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

C32H44N8O4 — CID 10258093

About N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 10258093) has the molecular formula C32H44N8O4 and a molecular weight of 604.76 g/mol. Its IUPAC name is N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
• PubChem CID: 10258093
• Molecular Formula: C32H44N8O4
• Molecular Weight: 604.76 g/mol
• Exact Mass: 604.35
• IUPAC Name: N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
• SMILES: COc1ncc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cn1
• InChI: InChI=1S/C32H44N8O4/c1-44-30-33-20-23(21-34-30)19-28(29(41)38-15-9-25(10-16-38)37-13-5-2-6-14-37)36-31(42)39-17-11-26(12-18-39)40-22-24-7-3-4-8-27(24)35-32(40)43/h3-4,7-8,20-21,25-26,28H,2,5-6,9-19,22H2,1H3,(H,35,43)(H,36,42)
• InChIKey: MEMUACMJQUQGIE-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 123.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.76
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?

The IUPAC name of N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (CID 10258093) is N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is COc1ncc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cn1.

What is the InChIKey of N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?

The InChIKey is MEMUACMJQUQGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N8O4/c1-44-30-33-20-23(21-34-30)19-28(29(41)38-15-9-25(10-16-38)37-13-5-2-6-14-37)36-31(42)39-17-11-26(12-18-39)40-22-24-7-3-4-8-27(24)35-32(40)43/h3-4,7-8,20-21,25-26,28H,2,5-6,9-19,22H2,1H3,(H,35,43)(H,36,42).

What are the key properties of N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?

N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 604.76 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methoxypyrimidin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 10258093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).