8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one

C30H36N4O — CID 135211224

IUPAC8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one
SMILESCCc1cc2c(cc1N1CCN(C3CCC3)CC1)C(C)(C)c1[nH]c3cc(/C=N/C)ccc3c1C2=O
InChIInChI=1S/C30H36N4O/c1-5-20-16-23-24(17-26(20)34-13-11-33(12-14-34)21-7-6-8-21)30(2,3)29-27(28(23)35)22-10-9-19(18-31-4)15-25(22)32-29/h9-10,15-18,21,32H,5-8,11-14H2,1-4H3/b31-18+
InChIKeySHPAYTCKZWSIEP-FDAWAROLSA-N
MW468.65 g/mol
LogP5.32
Rot. Bonds4

About 8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one

8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one (PubChem CID 135211224) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one
PubChem CID135211224
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Name8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one
SMILESCCc1cc2c(cc1N1CCN(C3CCC3)CC1)C(C)(C)c1[nH]c3cc(/C=N/C)ccc3c1C2=O
InChIInChI=1S/C30H36N4O/c1-5-20-16-23-24(17-26(20)34-13-11-33(12-14-34)21-7-6-8-21)30(2,3)29-27(28(23)35)22-10-9-19(18-31-4)15-25(22)32-29/h9-10,15-18,21,32H,5-8,11-14H2,1-4H3/b31-18+
InChIKeySHPAYTCKZWSIEP-FDAWAROLSA-N
XLogP5.32
TPSA51.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

8-(4-cyclobutylpiperazin-1-yl)-6,6,9-trimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one
CID 134375553
8-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one
CID 167193458
9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-piperazin-1-yl-5H-benzo[b]carbazol-11-one
CID 139565120
9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one
CID 167193340
9-ethyl-8-[4-(1-ethylcyclobutyl)piperazin-1-yl]-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one
CID 167193795
1-[4-[9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-11-oxo-5H-benzo[b]carbazol-8-yl]piperazin-1-yl]cyclohexane-1-carbonitrile
CID 135211351
9-ethyl-3,6,6-trimethyl-8-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-5H-benzo[b]carbazol-11-one
CID 167699885
9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile;hydron
CID 118796890
8-[4-(cyclobutylamino)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834952
3-bromo-9-ethyl-6,6-dimethyl-8-(4-oxopiperidin-1-yl)-5H-benzo[b]carbazol-11-one
CID 171474706
3-(2-cyclopropylethynyl)-9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-5H-benzo[b]carbazol-11-one
CID 171474697
8-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 67127612

Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one?
The IUPAC name of 8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one (CID 135211224) is 8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one is CCc1cc2c(cc1N1CCN(C3CCC3)CC1)C(C)(C)c1[nH]c3cc(/C=N/C)ccc3c1C2=O.
What is the InChIKey of 8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one?
The InChIKey is SHPAYTCKZWSIEP-FDAWAROLSA-N. The full InChI is InChI=1S/C30H36N4O/c1-5-20-16-23-24(17-26(20)34-13-11-33(12-14-34)21-7-6-8-21)30(2,3)29-27(28(23)35)22-10-9-19(18-31-4)15-25(22)32-29/h9-10,15-18,21,32H,5-8,11-14H2,1-4H3/b31-18+.
What are the key properties of 8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one?
8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one has a molecular weight of 468.65 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclobutylpiperazin-1-yl)-9-ethyl-6,6-dimethyl-3-(methyliminomethyl)-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 135211224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).