6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

C28H32FN3O — CID 25012661

IUPAC6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESCC1(C)CN(CCc2cc3c4c(c2)CCN4C(=O)CC3)CCC1c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C28H32FN3O/c1-28(2)17-31(11-9-24(28)23-16-30-25-5-4-21(29)15-22(23)25)10-7-18-13-19-3-6-26(33)32-12-8-20(14-18)27(19)32/h4-5,13-16,24,30H,3,6-12,17H2,1-2H3
InChIKeyWBLDRCAAEZXIFU-UHFFFAOYSA-N
MW445.58 g/mol
LogP5.20
Rot. Bonds4

About 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (PubChem CID 25012661) has the molecular formula C28H32FN3O and a molecular weight of 445.58 g/mol. Its IUPAC name is 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

Molecular Properties

Compound Name6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
PubChem CID25012661
Molecular FormulaC28H32FN3O
Molecular Weight445.58 g/mol
Exact Mass445.25
IUPAC Name6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESCC1(C)CN(CCc2cc3c4c(c2)CCN4C(=O)CC3)CCC1c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C28H32FN3O/c1-28(2)17-31(11-9-24(28)23-16-30-25-5-4-21(29)15-22(23)25)10-7-18-13-19-3-6-26(33)32-12-8-20(14-18)27(19)32/h4-5,13-16,24,30H,3,6-12,17H2,1-2H3
InChIKeyWBLDRCAAEZXIFU-UHFFFAOYSA-N
XLogP5.20
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-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

Related Compounds

6-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-9,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
CID 25012822
6-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10023495
3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 67758842
6-[2-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-9,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
CID 25012989
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 155535386
2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one
CID 162402410
7-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 129103325
5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 15837561
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917
9-[2-[4-(6-fluoro-3a,7a-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-3-one
CID 25013305
1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409
1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one
CID 22483998

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The IUPAC name of 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (CID 25012661) is 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
What is the SMILES notation for 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The canonical SMILES for 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is CC1(C)CN(CCc2cc3c4c(c2)CCN4C(=O)CC3)CCC1c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The InChIKey is WBLDRCAAEZXIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O/c1-28(2)17-31(11-9-24(28)23-16-30-25-5-4-21(29)15-22(23)25)10-7-18-13-19-3-6-26(33)32-12-8-20(14-18)27(19)32/h4-5,13-16,24,30H,3,6-12,17H2,1-2H3.
What are the key properties of 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one has a molecular weight of 445.58 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(5-fluoro-1H-indol-3-yl)-3,3-dimethylpiperidin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is sourced from PubChem (CID 25012661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).