ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate

C23H25FN2O2 — CID 69411468

IUPACethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate
SMILESCCOC(=O)c1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)ccc1F
InChIInChI=1S/C23H25FN2O2/c1-2-28-23(27)19-13-16(7-8-21(19)24)15-26-11-9-17(10-12-26)20-14-25-22-6-4-3-5-18(20)22/h3-8,13-14,17,25H,2,9-12,15H2,1H3
InChIKeySKHFSFFTSLNZQA-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.86
Rot. Bonds5

About ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate

ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate (PubChem CID 69411468) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate
PubChem CID69411468
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Nameethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate
SMILESCCOC(=O)c1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)ccc1F
InChIInChI=1S/C23H25FN2O2/c1-2-28-23(27)19-13-16(7-8-21(19)24)15-26-11-9-17(10-12-26)20-14-25-22-6-4-3-5-18(20)22/h3-8,13-14,17,25H,2,9-12,15H2,1H3
InChIKeySKHFSFFTSLNZQA-UHFFFAOYSA-N
XLogP4.86
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate 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

ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
2-methoxyethyl 3-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]benzoate
CID 11338840
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-chloro-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoic acid
CID 136550117
(2-ethoxy-6-methyl-3-pyridinyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 119047088
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 58617626
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234
1-[4-[[4-(5-ethyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]ethanethiol
CID 171500694
3-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole;oxalic acid
CID 17366831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate?
The IUPAC name of ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate (CID 69411468) is ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate.
What is the SMILES notation for ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate?
The canonical SMILES for ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate is CCOC(=O)c1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)ccc1F.
What is the InChIKey of ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate?
The InChIKey is SKHFSFFTSLNZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-2-28-23(27)19-13-16(7-8-21(19)24)15-26-11-9-17(10-12-26)20-14-25-22-6-4-3-5-18(20)22/h3-8,13-14,17,25H,2,9-12,15H2,1H3.
What are the key properties of ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate?
ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate has a molecular weight of 380.46 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate is sourced from PubChem (CID 69411468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).