N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C48H57N5O4 — CID 166458162

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCCC1CC(CN2CCC(c3ccc(C)c(CN(C=O)C4CCC(=O)NC4=O)c3)CC2)C1.CCc1cc2c(cc1C)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C26H37N3O3.C22H20N2O/c1-3-19-12-20(13-19)15-28-10-8-21(9-11-28)22-5-4-18(2)23(14-22)16-29(17-30)24-6-7-25(31)27-26(24)32;1-5-14-10-16-17(8-12(14)2)22(3,4)21-19(20(16)25)15-7-6-13(11-23)9-18(15)24-21/h4-5,14,17,19-21,24H,3,6-13,15-16H2,1-2H3,(H,27,31,32);6-10,24H,5H2,1-4H3
InChIKeyHNKKLNCNAHFFDI-UHFFFAOYSA-N
MW768.01 g/mol
LogP8.15
Rot. Bonds9

About N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 166458162) has the molecular formula C48H57N5O4 and a molecular weight of 768.01 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID166458162
Molecular FormulaC48H57N5O4
Molecular Weight768.01 g/mol
Exact Mass767.44
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCCC1CC(CN2CCC(c3ccc(C)c(CN(C=O)C4CCC(=O)NC4=O)c3)CC2)C1.CCc1cc2c(cc1C)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C26H37N3O3.C22H20N2O/c1-3-19-12-20(13-19)15-28-10-8-21(9-11-28)22-5-4-18(2)23(14-22)16-29(17-30)24-6-7-25(31)27-26(24)32;1-5-14-10-16-17(8-12(14)2)22(3,4)21-19(20(16)25)15-7-6-13(11-23)9-18(15)24-21/h4-5,14,17,19-21,24H,3,6-13,15-16H2,1-2H3,(H,27,31,32);6-10,24H,5H2,1-4H3
InChIKeyHNKKLNCNAHFFDI-UHFFFAOYSA-N
XLogP8.15
TPSA126.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.01
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 166458162) is N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CCC1CC(CN2CCC(c3ccc(C)c(CN(C=O)C4CCC(=O)NC4=O)c3)CC2)C1.CCc1cc2c(cc1C)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is HNKKLNCNAHFFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3.C22H20N2O/c1-3-19-12-20(13-19)15-28-10-8-21(9-11-28)22-5-4-18(2)23(14-22)16-29(17-30)24-6-7-25(31)27-26(24)32;1-5-14-10-16-17(8-12(14)2)22(3,4)21-19(20(16)25)15-7-6-13(11-23)9-18(15)24-21/h4-5,14,17,19-21,24H,3,6-13,15-16H2,1-2H3,(H,27,31,32);6-10,24H,5H2,1-4H3.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 768.01 g/mol, XLogP of 8.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[[5-[1-[(3-ethylcyclobutyl)methyl]piperidin-4-yl]-2-methylphenyl]methyl]formamide;9-ethyl-6,6,8-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 166458162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).