1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C27H35N5O3 — CID 118755188

About 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 118755188) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 118755188
• Molecular Formula: C27H35N5O3
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.27
• IUPAC Name: 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
• SMILES: CN(Cc1cnn(C)c1)C(=O)C1CCN(c2cccc3c2C(=O)N(CC2CCCCC2)C3=O)CC1
• InChI: InChI=1S/C27H35N5O3/c1-29(16-20-15-28-30(2)17-20)25(33)21-11-13-31(14-12-21)23-10-6-9-22-24(23)27(35)32(26(22)34)18-19-7-4-3-5-8-19/h6,9-10,15,17,19,21H,3-5,7-8,11-14,16,18H2,1-2H3
• InChIKey: HGPDFQKAMAQBFF-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 78.75 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 118755188) is 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CN(Cc1cnn(C)c1)C(=O)C1CCN(c2cccc3c2C(=O)N(CC2CCCCC2)C3=O)CC1.

What is the InChIKey of 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

The InChIKey is HGPDFQKAMAQBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-29(16-20-15-28-30(2)17-20)25(33)21-11-13-31(14-12-21)23-10-6-9-22-24(23)27(35)32(26(22)34)18-19-7-4-3-5-8-19/h6,9-10,15,17,19,21H,3-5,7-8,11-14,16,18H2,1-2H3.

What are the key properties of 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 118755188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).