(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione

C28H42N4O3 — CID 42342271

About (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione

(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 42342271) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
• PubChem CID: 42342271
• Molecular Formula: C28H42N4O3
• Molecular Weight: 482.67 g/mol
• Exact Mass: 482.33
• IUPAC Name: (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1ccccc1C[C@@]1(C2CCN(C(=O)C3CCCCC3)CC2)NC(=O)N(CCCN(C)C)C1=O
• InChI: InChI=1S/C28H42N4O3/c1-21-10-7-8-13-23(21)20-28(26(34)32(27(35)29-28)17-9-16-30(2)3)24-14-18-31(19-15-24)25(33)22-11-5-4-6-12-22/h7-8,10,13,22,24H,4-6,9,11-12,14-20H2,1-3H3,(H,29,35)/t28-/m0/s1
• InChIKey: ASDRPFZNJJHFGD-NDEPHWFRSA-N
• XLogP: 3.60
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.67
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione (CID 42342271) is (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1ccccc1C[C@@]1(C2CCN(C(=O)C3CCCCC3)CC2)NC(=O)N(CCCN(C)C)C1=O.

What is the InChIKey of (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione?

The InChIKey is ASDRPFZNJJHFGD-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-21-10-7-8-13-23(21)20-28(26(34)32(27(35)29-28)17-9-16-30(2)3)24-14-18-31(19-15-24)25(33)22-11-5-4-6-12-22/h7-8,10,13,22,24H,4-6,9,11-12,14-20H2,1-3H3,(H,29,35)/t28-/m0/s1.

What are the key properties of (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione?

(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 482.67 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42342271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).