3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C43H54N6O6 — CID 168931866

IUPAC3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCC2(CC1)CC(N1CCC(c3ccc4c(c3)n(C)c(=O)n4C3CCC(=O)NC3=O)CC1)C2
InChIInChI=1S/C43H54N6O6/c1-26-27(2)41(52)45(3)24-32(26)30-20-37(54-5)33(38(21-30)55-6)25-47-17-13-43(14-18-47)22-31(23-43)48-15-11-28(12-16-48)29-7-8-34-36(19-29)46(4)42(53)49(34)35-9-10-39(50)44-40(35)51/h7-8,19-21,24,28,31,35H,9-18,22-23,25H2,1-6H3,(H,44,50,51)
InChIKeyAABOIYMMIVFZCC-UHFFFAOYSA-N
MW750.94 g/mol
LogP4.94
Rot. Bonds8

About 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 168931866) has the molecular formula C43H54N6O6 and a molecular weight of 750.94 g/mol. Its IUPAC name is 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
PubChem CID168931866
Molecular FormulaC43H54N6O6
Molecular Weight750.94 g/mol
Exact Mass750.41
IUPAC Name3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCC2(CC1)CC(N1CCC(c3ccc4c(c3)n(C)c(=O)n4C3CCC(=O)NC3=O)CC1)C2
InChIInChI=1S/C43H54N6O6/c1-26-27(2)41(52)45(3)24-32(26)30-20-37(54-5)33(38(21-30)55-6)25-47-17-13-43(14-18-47)22-31(23-43)48-15-11-28(12-16-48)29-7-8-34-36(19-29)46(4)42(53)49(34)35-9-10-39(50)44-40(35)51/h7-8,19-21,24,28,31,35H,9-18,22-23,25H2,1-6H3,(H,44,50,51)
InChIKeyAABOIYMMIVFZCC-UHFFFAOYSA-N
XLogP4.94
TPSA120.04 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 168931866) is 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCC2(CC1)CC(N1CCC(c3ccc4c(c3)n(C)c(=O)n4C3CCC(=O)NC3=O)CC1)C2.
What is the InChIKey of 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is AABOIYMMIVFZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54N6O6/c1-26-27(2)41(52)45(3)24-32(26)30-20-37(54-5)33(38(21-30)55-6)25-47-17-13-43(14-18-47)22-31(23-43)48-15-11-28(12-16-48)29-7-8-34-36(19-29)46(4)42(53)49(34)35-9-10-39(50)44-40(35)51/h7-8,19-21,24,28,31,35H,9-18,22-23,25H2,1-6H3,(H,44,50,51).
What are the key properties of 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 750.94 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 168931866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).