5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene

C24H27FN4O2 — CID 91061023

IUPAC5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene
SMILESCC(=Cc1ccc(F)cc1)CN1CCN(CC2ONC3=C2COc2cccnc23)CC1
InChIInChI=1S/C24H27FN4O2/c1-17(13-18-4-6-19(25)7-5-18)14-28-9-11-29(12-10-28)15-22-20-16-30-21-3-2-8-26-24(21)23(20)27-31-22/h2-8,13,22,27H,9-12,14-16H2,1H3
InChIKeyASOWTMKJOHGIML-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.95
Rot. Bonds5

About 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene

5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene (PubChem CID 91061023) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene.

Molecular Properties

Compound Name5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene
PubChem CID91061023
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene
SMILESCC(=Cc1ccc(F)cc1)CN1CCN(CC2ONC3=C2COc2cccnc23)CC1
InChIInChI=1S/C24H27FN4O2/c1-17(13-18-4-6-19(25)7-5-18)14-28-9-11-29(12-10-28)15-22-20-16-30-21-3-2-8-26-24(21)23(20)27-31-22/h2-8,13,22,27H,9-12,14-16H2,1H3
InChIKeyASOWTMKJOHGIML-UHFFFAOYSA-N
XLogP2.95
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene with MolForge

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Related Compounds

N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide
CID 91392270
1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine
CID 57436140
1-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 5333510
14-[[4-[(E)-3-(3-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-7,13,17-trioxa-4,12-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11-tetraene
CID 135890987
N,N,N'-trimethyl-N'-[3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-7-yl]ethane-1,2-diamine
CID 73087193
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 138042151
3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one
CID 24969545
3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-7-(nitrosomethyl)-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
CID 91396035
1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 59321981
(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 86781785
1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1376188
3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one
CID 24969366

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene?
The IUPAC name of 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene (CID 91061023) is 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene.
What is the SMILES notation for 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene?
The canonical SMILES for 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene is CC(=Cc1ccc(F)cc1)CN1CCN(CC2ONC3=C2COc2cccnc23)CC1.
What is the InChIKey of 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene?
The InChIKey is ASOWTMKJOHGIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-17(13-18-4-6-19(25)7-5-18)14-28-9-11-29(12-10-28)15-22-20-16-30-21-3-2-8-26-24(21)23(20)27-31-22/h2-8,13,22,27H,9-12,14-16H2,1H3.
What are the key properties of 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene?
5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene has a molecular weight of 422.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazin-1-yl]methyl]-4,8-dioxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),10,12-tetraene is sourced from PubChem (CID 91061023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).