N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide

C23H28N4O — CID 25279654

About N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide

N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 25279654) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
• PubChem CID: 25279654
• Molecular Formula: C23H28N4O
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.23
• IUPAC Name: N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
• SMILES: C=C(C)CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
• InChI: InChI=1S/C23H28N4O/c1-16(2)15-24-23(28)18-11-13-27(14-12-18)22-19-9-6-10-20(19)25-21(26-22)17-7-4-3-5-8-17/h3-5,7-8,18H,1,6,9-15H2,2H3,(H,24,28)
• InChIKey: ZXLOMJSVKSHWAU-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.50
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?

The IUPAC name of N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 25279654) is N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?

The canonical SMILES for N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is C=C(C)CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1.

What is the InChIKey of N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?

The InChIKey is ZXLOMJSVKSHWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16(2)15-24-23(28)18-11-13-27(14-12-18)22-19-9-6-10-20(19)25-21(26-22)17-7-4-3-5-8-17/h3-5,7-8,18H,1,6,9-15H2,2H3,(H,24,28).

What are the key properties of N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?

N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylprop-2-enyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 25279654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).