4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

C32H43N7O4 — CID 24863325

About 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 24863325) has the molecular formula C32H43N7O4 and a molecular weight of 589.74 g/mol. Its IUPAC name is 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
• PubChem CID: 24863325
• Molecular Formula: C32H43N7O4
• Molecular Weight: 589.74 g/mol
• Exact Mass: 589.34
• IUPAC Name: 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
• SMILES: O=C(NC(Cc1ccc(=O)[nH]c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
• InChI: InChI=1S/C32H43N7O4/c40-29-9-8-23(21-33-29)20-28(30(41)37-16-10-25(11-17-37)36-14-4-1-5-15-36)35-31(42)38-18-12-26(13-19-38)39-22-24-6-2-3-7-27(24)34-32(39)43/h2-3,6-9,21,25-26,28H,1,4-5,10-20,22H2,(H,33,40)(H,34,43)(H,35,42)
• InChIKey: ZNLQYLSENNUECW-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 121.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.74
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?

The IUPAC name of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (CID 24863325) is 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?

The canonical SMILES for 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is O=C(NC(Cc1ccc(=O)[nH]c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1.

What is the InChIKey of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?

The InChIKey is ZNLQYLSENNUECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O4/c40-29-9-8-23(21-33-29)20-28(30(41)37-16-10-25(11-17-37)36-14-4-1-5-15-36)35-31(42)38-18-12-26(13-19-38)39-22-24-6-2-3-7-27(24)34-32(39)43/h2-3,6-9,21,25-26,28H,1,4-5,10-20,22H2,(H,33,40)(H,34,43)(H,35,42).

What are the key properties of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?

4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 589.74 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 24863325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).