1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

C26H31N5O4 — CID 40880368

About 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 40880368) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
• PubChem CID: 40880368
• Molecular Formula: C26H31N5O4
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.24
• IUPAC Name: 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
• SMILES: C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)C1=O
• InChI: InChI=1S/C26H31N5O4/c1-26(15-12-19-8-4-2-5-9-19)24(34)31(25(35)28-26)29-22(32)18-30-16-13-20(14-17-30)23(33)27-21-10-6-3-7-11-21/h2-11,20H,12-18H2,1H3,(H,27,33)(H,28,35)(H,29,32)/t26-/m1/s1
• InChIKey: WAASXLLFPUBAEZ-AREMUKBSSA-N
• XLogP: 2.31
• TPSA: 110.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?

The IUPAC name of 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (CID 40880368) is 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?

The canonical SMILES for 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)C1=O.

What is the InChIKey of 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?

The InChIKey is WAASXLLFPUBAEZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-26(15-12-19-8-4-2-5-9-19)24(34)31(25(35)28-26)29-22(32)18-30-16-13-20(14-17-30)23(33)27-21-10-6-3-7-11-21/h2-11,20H,12-18H2,1H3,(H,27,33)(H,28,35)(H,29,32)/t26-/m1/s1.

What are the key properties of 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?

1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 40880368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).