N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide

C50H58N4O5 — CID 164924398

About N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide

N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide (PubChem CID 164924398) has the molecular formula C50H58N4O5 and a molecular weight of 795.04 g/mol. Its IUPAC name is N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

• Compound Name: N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide
• PubChem CID: 164924398
• Molecular Formula: C50H58N4O5
• Molecular Weight: 795.04 g/mol
• Exact Mass: 794.44
• IUPAC Name: N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide
• SMILES: Cc1cc2c(cc1C(=O)N(C)C(C=O)CCC=O)CN(C(=O)C1CCN(CC3CCN(c4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)CC3)CC1)C2
• InChI: InChI=1S/C50H58N4O5/c1-34-27-40-31-54(32-41(40)29-47(34)50(59)51(2)43(33-56)9-6-26-55)49(58)38-20-22-52(23-21-38)30-35-18-24-53(25-19-35)42-13-10-37(11-14-42)48-45(36-7-4-3-5-8-36)16-12-39-28-44(57)15-17-46(39)48/h3-5,7-8,10-11,13-15,17,26-29,33,35,38,43,45,48,57H,6,9,12,16,18-25,30-32H2,1-2H3/t43?,45-,48+/m1/s1
• InChIKey: VEJUSEXMZUBWCD-QIYATSJHSA-N
• XLogP: 7.65
• TPSA: 101.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.04
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide?

The IUPAC name of N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide (CID 164924398) is N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide.

What is the SMILES notation for N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide?

The canonical SMILES for N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide is Cc1cc2c(cc1C(=O)N(C)C(C=O)CCC=O)CN(C(=O)C1CCN(CC3CCN(c4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)CC3)CC1)C2.

What is the InChIKey of N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide?

The InChIKey is VEJUSEXMZUBWCD-QIYATSJHSA-N. The full InChI is InChI=1S/C50H58N4O5/c1-34-27-40-31-54(32-41(40)29-47(34)50(59)51(2)43(33-56)9-6-26-55)49(58)38-20-22-52(23-21-38)30-35-18-24-53(25-19-35)42-13-10-37(11-14-42)48-45(36-7-4-3-5-8-36)16-12-39-28-44(57)15-17-46(39)48/h3-5,7-8,10-11,13-15,17,26-29,33,35,38,43,45,48,57H,6,9,12,16,18-25,30-32H2,1-2H3/t43?,45-,48+/m1/s1.

What are the key properties of N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide?

N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 795.04 g/mol, XLogP of 7.65, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dioxopentan-2-yl)-2-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-N,6-dimethyl-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 164924398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).