1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole

C25H31FN2O2 — CID 143503327

IUPAC1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole
SMILESCOc1cccc2c(C)cn(CCCN3CCCC(Oc4ccc(F)cc4)CC3)c12
InChIInChI=1S/C25H31FN2O2/c1-19-18-28(25-23(19)7-3-8-24(25)29-2)16-5-15-27-14-4-6-21(13-17-27)30-22-11-9-20(26)10-12-22/h3,7-12,18,21H,4-6,13-17H2,1-2H3
InChIKeyOYYXGCZFNDDFOP-UHFFFAOYSA-N
MW410.53 g/mol
LogP5.42
Rot. Bonds7

About 1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole

1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole (PubChem CID 143503327) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole
PubChem CID143503327
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole
SMILESCOc1cccc2c(C)cn(CCCN3CCCC(Oc4ccc(F)cc4)CC3)c12
InChIInChI=1S/C25H31FN2O2/c1-19-18-28(25-23(19)7-3-8-24(25)29-2)16-5-15-27-14-4-6-21(13-17-27)30-22-11-9-20(26)10-12-22/h3,7-12,18,21H,4-6,13-17H2,1-2H3
InChIKeyOYYXGCZFNDDFOP-UHFFFAOYSA-N
XLogP5.42
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[7-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 58968272
1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile
CID 69072549
1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
CID 58967756
3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-1-ol
CID 111381858
1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58968192
cyclopropyl-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone;cyclopropyl-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]methanone
CID 159746093
1-(2-cyclohexylethyl)-4-(4-fluorophenoxy)piperidine
CID 174665920
1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 58968072
7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
CID 58968285
[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 58967725
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide
CID 58968321
3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
CID 111423473

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole?
The IUPAC name of 1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole (CID 143503327) is 1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole.
What is the SMILES notation for 1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole?
The canonical SMILES for 1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole is COc1cccc2c(C)cn(CCCN3CCCC(Oc4ccc(F)cc4)CC3)c12.
What is the InChIKey of 1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole?
The InChIKey is OYYXGCZFNDDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-19-18-28(25-23(19)7-3-8-24(25)29-2)16-5-15-27-14-4-6-21(13-17-27)30-22-11-9-20(26)10-12-22/h3,7-12,18,21H,4-6,13-17H2,1-2H3.
What are the key properties of 1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole?
1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole has a molecular weight of 410.53 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenoxy)azepan-1-yl]propyl]-7-methoxy-3-methylindole is sourced from PubChem (CID 143503327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).