1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide

C23H26ClN3O2 — CID 55687111

IUPAC1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-3-20-19(18-6-4-5-7-21(18)29-20)15-26(2)23(28)16-10-12-27(13-11-16)22-9-8-17(24)14-25-22/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyOTLIMBANCGTKTM-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.92
Rot. Bonds5

About 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55687111) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID55687111
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-3-20-19(18-6-4-5-7-21(18)29-20)15-26(2)23(28)16-10-12-27(13-11-16)22-9-8-17(24)14-25-22/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyOTLIMBANCGTKTM-UHFFFAOYSA-N
XLogP4.92
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide 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 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide (CID 55687111) is 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide is CCc1oc2ccccc2c1CN(C)C(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is OTLIMBANCGTKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-3-20-19(18-6-4-5-7-21(18)29-20)15-26(2)23(28)16-10-12-27(13-11-16)22-9-8-17(24)14-25-22/h4-9,14,16H,3,10-13,15H2,1-2H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55687111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).