ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate

C26H29FN2O3 — CID 45171559

IUPACethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2F)CCCN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C26H29FN2O3/c1-2-32-25(31)26(16-19-8-3-5-10-22(19)27)14-7-15-29(18-26)24(30)13-12-20-17-28-23-11-6-4-9-21(20)23/h3-6,8-11,17,28H,2,7,12-16,18H2,1H3
InChIKeyLCFNZEFVUODPAN-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.65
Rot. Bonds7

About ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate

ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate (PubChem CID 45171559) has the molecular formula C26H29FN2O3 and a molecular weight of 436.53 g/mol. Its IUPAC name is ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate
PubChem CID45171559
Molecular FormulaC26H29FN2O3
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC Nameethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2F)CCCN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C26H29FN2O3/c1-2-32-25(31)26(16-19-8-3-5-10-22(19)27)14-7-15-29(18-26)24(30)13-12-20-17-28-23-11-6-4-9-21(20)23/h3-6,8-11,17,28H,2,7,12-16,18H2,1H3
InChIKeyLCFNZEFVUODPAN-UHFFFAOYSA-N
XLogP4.65
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate (CID 45171559) is ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccccc2F)CCCN(C(=O)CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate?
The InChIKey is LCFNZEFVUODPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O3/c1-2-32-25(31)26(16-19-8-3-5-10-22(19)27)14-7-15-29(18-26)24(30)13-12-20-17-28-23-11-6-4-9-21(20)23/h3-6,8-11,17,28H,2,7,12-16,18H2,1H3.
What are the key properties of ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate?
ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate has a molecular weight of 436.53 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-fluorophenyl)methyl]-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 45171559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).