N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen

C30H49F2N3O2 — CID 142165696

About N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen

N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen (PubChem CID 142165696) has the molecular formula C30H49F2N3O2 and a molecular weight of 521.74 g/mol. Its IUPAC name is N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen.

Molecular Properties

• Compound Name: N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen
• PubChem CID: 142165696
• Molecular Formula: C30H49F2N3O2
• Molecular Weight: 521.74 g/mol
• Exact Mass: 521.38
• IUPAC Name: N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen
• SMILES: CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C=O)CC1.CC(C)N1CC[C@H](c2ccc(F)cc2F)C1.[H][H]
• InChI: InChI=1S/C17H30N2O2.C13H17F2N.H2/c1-16(2,3)18-15(21)17(14-7-5-4-6-8-14)9-11-19(13-20)12-10-17;1-9(2)16-6-5-10(8-16)12-4-3-11(14)7-13(12)15;/h13-14H,4-12H2,1-3H3,(H,18,21);3-4,7,9-10H,5-6,8H2,1-2H3;1H/t;10-;/m.0./s1
• InChIKey: POURDVUWMHRHFU-RBPNCNDUSA-N
• XLogP: 6.13
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.74
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen?

The IUPAC name of N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen (CID 142165696) is N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen.

What is the SMILES notation for N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen?

The canonical SMILES for N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen is CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C=O)CC1.CC(C)N1CC[C@H](c2ccc(F)cc2F)C1.[H][H].

What is the InChIKey of N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen?

The InChIKey is POURDVUWMHRHFU-RBPNCNDUSA-N. The full InChI is InChI=1S/C17H30N2O2.C13H17F2N.H2/c1-16(2,3)18-15(21)17(14-7-5-4-6-8-14)9-11-19(13-20)12-10-17;1-9(2)16-6-5-10(8-16)12-4-3-11(14)7-13(12)15;/h13-14H,4-12H2,1-3H3,(H,18,21);3-4,7,9-10H,5-6,8H2,1-2H3;1H/t;10-;/m.0./s1.

What are the key properties of N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen?

N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen has a molecular weight of 521.74 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen is sourced from PubChem (CID 142165696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).