N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C31H40N6O4 — CID 170728572

IUPACN-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NC2CCC(=O)NC2=O)ccc1N1CCN(CC2CC3(CCN(c4ccccc4)CC3)C2)CC1
InChIInChI=1S/C31H40N6O4/c1-41-30-26(9-7-25(33-30)28(39)32-24-8-10-27(38)34-29(24)40)37-17-15-35(16-18-37)21-22-19-31(20-22)11-13-36(14-12-31)23-5-3-2-4-6-23/h2-7,9,22,24H,8,10-21H2,1H3,(H,32,39)(H,34,38,40)
InChIKeyCTUPQEGJZOIPFQ-UHFFFAOYSA-N
MW560.70 g/mol
LogP2.44
Rot. Bonds7

About N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 170728572) has the molecular formula C31H40N6O4 and a molecular weight of 560.70 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID170728572
Molecular FormulaC31H40N6O4
Molecular Weight560.70 g/mol
Exact Mass560.31
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NC2CCC(=O)NC2=O)ccc1N1CCN(CC2CC3(CCN(c4ccccc4)CC3)C2)CC1
InChIInChI=1S/C31H40N6O4/c1-41-30-26(9-7-25(33-30)28(39)32-24-8-10-27(38)34-29(24)40)37-17-15-35(16-18-37)21-22-19-31(20-22)11-13-36(14-12-31)23-5-3-2-4-6-23/h2-7,9,22,24H,8,10-21H2,1H3,(H,32,39)(H,34,38,40)
InChIKeyCTUPQEGJZOIPFQ-UHFFFAOYSA-N
XLogP2.44
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.70
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 170728572) is N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is COc1nc(C(=O)NC2CCC(=O)NC2=O)ccc1N1CCN(CC2CC3(CCN(c4ccccc4)CC3)C2)CC1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is CTUPQEGJZOIPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O4/c1-41-30-26(9-7-25(33-30)28(39)32-24-8-10-27(38)34-29(24)40)37-17-15-35(16-18-37)21-22-19-31(20-22)11-13-36(14-12-31)23-5-3-2-4-6-23/h2-7,9,22,24H,8,10-21H2,1H3,(H,32,39)(H,34,38,40).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 560.70 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170728572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).