[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone

C24H33N3O2 — CID 11153651

IUPAC[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)C[C@H](C)N1C
InChIInChI=1S/C24H33N3O2/c1-16-12-26(13-17(2)25(16)3)24(28)20-14-27-21(18-8-5-4-6-9-18)15-29-22-11-7-10-19(20)23(22)27/h7,10-11,14,16-18,21H,4-6,8-9,12-13,15H2,1-3H3/t16-,17+,21-/m0/s1
InChIKeyDUUIKOXVOUKEBZ-FVJLSDCUSA-N
MW395.55 g/mol
LogP4.32
Rot. Bonds2

About [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone

[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone (PubChem CID 11153651) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
PubChem CID11153651
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)C[C@H](C)N1C
InChIInChI=1S/C24H33N3O2/c1-16-12-26(13-17(2)25(16)3)24(28)20-14-27-21(18-8-5-4-6-9-18)15-29-22-11-7-10-19(20)23(22)27/h7,10-11,14,16-18,21H,4-6,8-9,12-13,15H2,1-3H3/t16-,17+,21-/m0/s1
InChIKeyDUUIKOXVOUKEBZ-FVJLSDCUSA-N
XLogP4.32
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
The IUPAC name of [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone (CID 11153651) is [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone.
What is the SMILES notation for [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
The canonical SMILES for [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)C[C@H](C)N1C.
What is the InChIKey of [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
The InChIKey is DUUIKOXVOUKEBZ-FVJLSDCUSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-16-12-26(13-17(2)25(16)3)24(28)20-14-27-21(18-8-5-4-6-9-18)15-29-22-11-7-10-19(20)23(22)27/h7,10-11,14,16-18,21H,4-6,8-9,12-13,15H2,1-3H3/t16-,17+,21-/m0/s1.
What are the key properties of [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 11153651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).