N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide

C30H31FN2O5 — CID 177335249

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide
SMILESCc1cccc2c(Cc3ccc(C(O)C4CCOCC4)cc3F)ccc(N(C=O)C3CCC(=O)NC3=O)c12
InChIInChI=1S/C30H31FN2O5/c1-18-3-2-4-23-20(7-8-25(28(18)23)33(17-34)26-9-10-27(35)32-30(26)37)15-21-5-6-22(16-24(21)31)29(36)19-11-13-38-14-12-19/h2-8,16-17,19,26,29,36H,9-15H2,1H3,(H,32,35,37)
InChIKeyKSLUWFCFRLWJII-UHFFFAOYSA-N
MW518.59 g/mol
LogP4.11
Rot. Bonds7

About N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide (PubChem CID 177335249) has the molecular formula C30H31FN2O5 and a molecular weight of 518.59 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide
PubChem CID177335249
Molecular FormulaC30H31FN2O5
Molecular Weight518.59 g/mol
Exact Mass518.22
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide
SMILESCc1cccc2c(Cc3ccc(C(O)C4CCOCC4)cc3F)ccc(N(C=O)C3CCC(=O)NC3=O)c12
InChIInChI=1S/C30H31FN2O5/c1-18-3-2-4-23-20(7-8-25(28(18)23)33(17-34)26-9-10-27(35)32-30(26)37)15-21-5-6-22(16-24(21)31)29(36)19-11-13-38-14-12-19/h2-8,16-17,19,26,29,36H,9-15H2,1H3,(H,32,35,37)
InChIKeyKSLUWFCFRLWJII-UHFFFAOYSA-N
XLogP4.11
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.59
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 163259167
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
4-[4-[[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]-3-fluorophenyl]-hydroxymethyl]piperidin-1-yl]-3-fluorobenzonitrile;(E)-3-methylpent-3-en-1-yne
CID 177335125
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
CID 154690274
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
CID 154670610
N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 176963217
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
CID 168945657
3-[(E)-3-(5,8-dimethylnaphthalen-1-yl)-3-hydroxyprop-1-enyl]piperidine-2,6-dione
CID 174331198
N-[(4-chlorophenyl)-[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]-6-methylphenyl]-hydroxymethyl]-N-[(2S)-1-(4-chlorophenyl)-2-methyl-3-oxopropyl]formamide
CID 145283274
3-[5-[[(2-fluoro-5-methylphenyl)methylamino]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259378
2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide
CID 145381944

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide (CID 177335249) is N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide is Cc1cccc2c(Cc3ccc(C(O)C4CCOCC4)cc3F)ccc(N(C=O)C3CCC(=O)NC3=O)c12.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide?
The InChIKey is KSLUWFCFRLWJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN2O5/c1-18-3-2-4-23-20(7-8-25(28(18)23)33(17-34)26-9-10-27(35)32-30(26)37)15-21-5-6-22(16-24(21)31)29(36)19-11-13-38-14-12-19/h2-8,16-17,19,26,29,36H,9-15H2,1H3,(H,32,35,37).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide?
N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide has a molecular weight of 518.59 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide is sourced from PubChem (CID 177335249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).