(3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione

C45H51N7O4 — CID 172630688

About (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione

(3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 172630688) has the molecular formula C45H51N7O4 and a molecular weight of 753.95 g/mol. Its IUPAC name is (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
• PubChem CID: 172630688
• Molecular Formula: C45H51N7O4
• Molecular Weight: 753.95 g/mol
• Exact Mass: 753.40
• IUPAC Name: (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
• SMILES: Cc1cccc(C2(C(=O)N3CC4(CN(CC5CCN(c6ccc([C@H]7CCC(=O)NC7=O)cc6)CC5)C4)C3)CCN(c3cnnc(-c4ccccc4O)c3)CC2)c1
• InChI: InChI=1S/C45H51N7O4/c1-31-5-4-6-34(23-31)45(17-21-51(22-18-45)36-24-39(48-46-25-36)38-7-2-3-8-40(38)53)43(56)52-29-44(30-52)27-49(28-44)26-32-15-19-50(20-16-32)35-11-9-33(10-12-35)37-13-14-41(54)47-42(37)55/h2-12,23-25,32,37,53H,13-22,26-30H2,1H3,(H,47,54,55)/t37-/m1/s1
• InChIKey: SYRHWAVEPPJWOB-DIPNUNPCSA-N
• XLogP: 5.28
• TPSA: 122.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.95
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione?

The IUPAC name of (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione (CID 172630688) is (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione.

What is the SMILES notation for (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione?

The canonical SMILES for (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione is Cc1cccc(C2(C(=O)N3CC4(CN(CC5CCN(c6ccc([C@H]7CCC(=O)NC7=O)cc6)CC5)C4)C3)CCN(c3cnnc(-c4ccccc4O)c3)CC2)c1.

What is the InChIKey of (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione?

The InChIKey is SYRHWAVEPPJWOB-DIPNUNPCSA-N. The full InChI is InChI=1S/C45H51N7O4/c1-31-5-4-6-34(23-31)45(17-21-51(22-18-45)36-24-39(48-46-25-36)38-7-2-3-8-40(38)53)43(56)52-29-44(30-52)27-49(28-44)26-32-15-19-50(20-16-32)35-11-9-33(10-12-35)37-13-14-41(54)47-42(37)55/h2-12,23-25,32,37,53H,13-22,26-30H2,1H3,(H,47,54,55)/t37-/m1/s1.

What are the key properties of (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione?

(3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 753.95 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 172630688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).