8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one

C26H33N3O — CID 139565063

IUPAC8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one
SMILESCCc1cc2c(cc1N1CCC(N)CC1)C(C)(C)C1=C(C2=O)C2(C)CC=CC=C2N1
InChIInChI=1S/C26H33N3O/c1-5-16-14-18-19(15-20(16)29-12-9-17(27)10-13-29)25(2,3)24-22(23(18)30)26(4)11-7-6-8-21(26)28-24/h6-8,14-15,17,28H,5,9-13,27H2,1-4H3
InChIKeyMBPUKAJOSVHZHR-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.36
Rot. Bonds2

About 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one

8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one (PubChem CID 139565063) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one
PubChem CID139565063
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one
SMILESCCc1cc2c(cc1N1CCC(N)CC1)C(C)(C)C1=C(C2=O)C2(C)CC=CC=C2N1
InChIInChI=1S/C26H33N3O/c1-5-16-14-18-19(15-20(16)29-12-9-17(27)10-13-29)25(2,3)24-22(23(18)30)26(4)11-7-6-8-21(26)28-24/h6-8,14-15,17,28H,5,9-13,27H2,1-4H3
InChIKeyMBPUKAJOSVHZHR-UHFFFAOYSA-N
XLogP4.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one?
The IUPAC name of 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one (CID 139565063) is 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one.
What is the SMILES notation for 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one?
The canonical SMILES for 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one is CCc1cc2c(cc1N1CCC(N)CC1)C(C)(C)C1=C(C2=O)C2(C)CC=CC=C2N1.
What is the InChIKey of 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one?
The InChIKey is MBPUKAJOSVHZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-5-16-14-18-19(15-20(16)29-12-9-17(27)10-13-29)25(2,3)24-22(23(18)30)26(4)11-7-6-8-21(26)28-24/h6-8,14-15,17,28H,5,9-13,27H2,1-4H3.
What are the key properties of 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one?
8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one has a molecular weight of 403.57 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminopiperidin-1-yl)-9-ethyl-6,6,11b-trimethyl-1,5-dihydrobenzo[b]carbazol-11-one is sourced from PubChem (CID 139565063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).