4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide

C35H50N8O3 — CID 25206397

About 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide

4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide (PubChem CID 25206397) has the molecular formula C35H50N8O3 and a molecular weight of 630.84 g/mol. Its IUPAC name is 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide
• PubChem CID: 25206397
• Molecular Formula: C35H50N8O3
• Molecular Weight: 630.84 g/mol
• Exact Mass: 630.40
• IUPAC Name: 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide
• SMILES: CNC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1
• InChI: InChI=1S/C35H50N8O3/c1-25-31(26(2)38-24-37-25)32(44)39-20-14-35(3,15-21-39)42-18-12-29(13-19-42)43-30(28-8-6-5-7-9-28)23-41(34(43)46)22-27-10-16-40(17-11-27)33(45)36-4/h5-9,24,27,29-30H,10-23H2,1-4H3,(H,36,45)/t30-/m0/s1
• InChIKey: PEYUSKSYYONOAP-PMERELPUSA-N
• XLogP: 4.08
• TPSA: 105.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.84
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide?

The IUPAC name of 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide (CID 25206397) is 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide?

The canonical SMILES for 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1.

What is the InChIKey of 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide?

The InChIKey is PEYUSKSYYONOAP-PMERELPUSA-N. The full InChI is InChI=1S/C35H50N8O3/c1-25-31(26(2)38-24-37-25)32(44)39-20-14-35(3,15-21-39)42-18-12-29(13-19-42)43-30(28-8-6-5-7-9-28)23-41(34(43)46)22-27-10-16-40(17-11-27)33(45)36-4/h5-9,24,27,29-30H,10-23H2,1-4H3,(H,36,45)/t30-/m0/s1.

What are the key properties of 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide?

4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 630.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 25206397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).