[(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C23H24FN3O2 — CID 95055435

IUPAC[(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC[C@@H]1Cn2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc3cccc(c32)O1
InChIInChI=1S/C23H24FN3O2/c1-2-19-15-27-20(14-16-4-3-5-21(29-19)22(16)27)23(28)26-12-10-25(11-13-26)18-8-6-17(24)7-9-18/h3-9,14,19H,2,10-13,15H2,1H3/t19-/m1/s1
InChIKeyZNZOBAYCJVBGTN-LJQANCHMSA-N
MW393.46 g/mol
LogP3.91
Rot. Bonds3

About [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 95055435) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID95055435
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name[(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC[C@@H]1Cn2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc3cccc(c32)O1
InChIInChI=1S/C23H24FN3O2/c1-2-19-15-27-20(14-16-4-3-5-21(29-19)22(16)27)23(28)26-12-10-25(11-13-26)18-8-6-17(24)7-9-18/h3-9,14,19H,2,10-13,15H2,1H3/t19-/m1/s1
InChIKeyZNZOBAYCJVBGTN-LJQANCHMSA-N
XLogP3.91
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(10S)-5-chloro-10-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
CID 95063403
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
(3-amino-2-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 28723150
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
(4-ethylphenyl)-[(3R)-3-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]piperidin-1-yl]methanone
CID 92872414
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546

Frequently Asked Questions

What is the IUPAC name of [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 95055435) is [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CC[C@@H]1Cn2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc3cccc(c32)O1.
What is the InChIKey of [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is ZNZOBAYCJVBGTN-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-2-19-15-27-20(14-16-4-3-5-21(29-19)22(16)27)23(28)26-12-10-25(11-13-26)18-8-6-17(24)7-9-18/h3-9,14,19H,2,10-13,15H2,1H3/t19-/m1/s1.
What are the key properties of [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 393.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95055435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).