ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate

C23H27N3O2 — CID 4276005

IUPACethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2ccccn2)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-3-28-23(27)17-11-14-26(15-12-17)22(20-10-6-7-13-24-20)21-16(2)25-19-9-5-4-8-18(19)21/h4-10,13,17,22,25H,3,11-12,14-15H2,1-2H3
InChIKeyOUWJOVWLFBHTDR-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.24
Rot. Bonds5

About ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate

ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate (PubChem CID 4276005) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate
PubChem CID4276005
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Nameethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2ccccn2)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-3-28-23(27)17-11-14-26(15-12-17)22(20-10-6-7-13-24-20)21-16(2)25-19-9-5-4-8-18(19)21/h4-10,13,17,22,25H,3,11-12,14-15H2,1-2H3
InChIKeyOUWJOVWLFBHTDR-UHFFFAOYSA-N
XLogP4.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-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 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate (CID 4276005) is ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(c2ccccn2)c2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate?
The InChIKey is OUWJOVWLFBHTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-28-23(27)17-11-14-26(15-12-17)22(20-10-6-7-13-24-20)21-16(2)25-19-9-5-4-8-18(19)21/h4-10,13,17,22,25H,3,11-12,14-15H2,1-2H3.
What are the key properties of ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate?
ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate is sourced from PubChem (CID 4276005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).