ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

C26H38N4O5 — CID 55739469

About ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 55739469) has the molecular formula C26H38N4O5 and a molecular weight of 486.61 g/mol. Its IUPAC name is ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 55739469
• Molecular Formula: C26H38N4O5
• Molecular Weight: 486.61 g/mol
• Exact Mass: 486.28
• IUPAC Name: ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(CN2CCC(C(=O)NCCCOC(C)C)CC2)NC(=O)NC1c1ccccc1
• InChI: InChI=1S/C26H38N4O5/c1-4-34-25(32)22-21(28-26(33)29-23(22)19-9-6-5-7-10-19)17-30-14-11-20(12-15-30)24(31)27-13-8-16-35-18(2)3/h5-7,9-10,18,20,23H,4,8,11-17H2,1-3H3,(H,27,31)(H2,28,29,33)
• InChIKey: YTONGLNPRIJEIP-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.61
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 55739469) is ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN2CCC(C(=O)NCCCOC(C)C)CC2)NC(=O)NC1c1ccccc1.

What is the InChIKey of ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is YTONGLNPRIJEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O5/c1-4-34-25(32)22-21(28-26(33)29-23(22)19-9-6-5-7-10-19)17-30-14-11-20(12-15-30)24(31)27-13-8-16-35-18(2)3/h5-7,9-10,18,20,23H,4,8,11-17H2,1-3H3,(H,27,31)(H2,28,29,33).

What are the key properties of ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 486.61 g/mol, XLogP of 2.50, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 55739469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).