N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide

C27H37ClN4O4 — CID 142117183

About N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide

N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide (PubChem CID 142117183) has the molecular formula C27H37ClN4O4 and a molecular weight of 517.07 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide
• PubChem CID: 142117183
• Molecular Formula: C27H37ClN4O4
• Molecular Weight: 517.07 g/mol
• Exact Mass: 516.25
• IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide
• SMILES: CC1(C)NC(=O)N(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC=O)CC2)C1=O
• InChI: InChI=1S/C27H37ClN4O4/c1-26(2)24(35)32(25(36)30-26)17-27(20-6-4-3-5-7-20)12-14-31(15-13-27)23(34)22(29-18-33)16-19-8-10-21(28)11-9-19/h8-11,18,20,22H,3-7,12-17H2,1-2H3,(H,29,33)(H,30,36)/t22-/m1/s1
• InChIKey: LLWPSDKAFIBVTK-JOCHJYFZSA-N
• XLogP: 3.52
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.07
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide?

The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide (CID 142117183) is N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide.

What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide?

The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide is CC1(C)NC(=O)N(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC=O)CC2)C1=O.

What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide?

The InChIKey is LLWPSDKAFIBVTK-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H37ClN4O4/c1-26(2)24(35)32(25(36)30-26)17-27(20-6-4-3-5-7-20)12-14-31(15-13-27)23(34)22(29-18-33)16-19-8-10-21(28)11-9-19/h8-11,18,20,22H,3-7,12-17H2,1-2H3,(H,29,33)(H,30,36)/t22-/m1/s1.

What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide?

N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide has a molecular weight of 517.07 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide is sourced from PubChem (CID 142117183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).