N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide

C41H49Br2N7O3 — CID 22945451

About N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide

N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide (PubChem CID 22945451) has the molecular formula C41H49Br2N7O3 and a molecular weight of 847.70 g/mol. Its IUPAC name is N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
• PubChem CID: 22945451
• Molecular Formula: C41H49Br2N7O3
• Molecular Weight: 847.70 g/mol
• Exact Mass: 845.23
• IUPAC Name: N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
• SMILES: CN1CCC(C2CCN(C(=O)[C@@H](Cc3cc(Br)c(N)c(Br)c3)NC(=O)N3CCC(n4c(-c5ccccc5)c(-c5ccccc5)[nH]c4=O)CC3)CC2)CC1
• InChI: InChI=1S/C41H49Br2N7O3/c1-47-18-12-28(13-19-47)29-14-20-48(21-15-29)39(51)35(26-27-24-33(42)36(44)34(43)25-27)45-40(52)49-22-16-32(17-23-49)50-38(31-10-6-3-7-11-31)37(46-41(50)53)30-8-4-2-5-9-30/h2-11,24-25,28-29,32,35H,12-23,26,44H2,1H3,(H,45,52)(H,46,53)/t35-/m1/s1
• InChIKey: JDHJGMBBTWSHRY-PGUFJCEWSA-N
• XLogP: 7.16
• TPSA: 119.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.70
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?

The IUPAC name of N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide (CID 22945451) is N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide is CN1CCC(C2CCN(C(=O)[C@@H](Cc3cc(Br)c(N)c(Br)c3)NC(=O)N3CCC(n4c(-c5ccccc5)c(-c5ccccc5)[nH]c4=O)CC3)CC2)CC1.

What is the InChIKey of N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?

The InChIKey is JDHJGMBBTWSHRY-PGUFJCEWSA-N. The full InChI is InChI=1S/C41H49Br2N7O3/c1-47-18-12-28(13-19-47)29-14-20-48(21-15-29)39(51)35(26-27-24-33(42)36(44)34(43)25-27)45-40(52)49-22-16-32(17-23-49)50-38(31-10-6-3-7-11-31)37(46-41(50)53)30-8-4-2-5-9-30/h2-11,24-25,28-29,32,35H,12-23,26,44H2,1H3,(H,45,52)(H,46,53)/t35-/m1/s1.

What are the key properties of N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?

N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide has a molecular weight of 847.70 g/mol, XLogP of 7.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 22945451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).