N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide

C20H26N4O2 — CID 50960614

IUPACN-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide
SMILESCc1ncccc1OC1(C(=O)NCCNc2ccccc2)CCNCC1
InChIInChI=1S/C20H26N4O2/c1-16-18(8-5-11-22-16)26-20(9-12-21-13-10-20)19(25)24-15-14-23-17-6-3-2-4-7-17/h2-8,11,21,23H,9-10,12-15H2,1H3,(H,24,25)
InChIKeyRGJLPVYWNMESPA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.12
Rot. Bonds7

About N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide

N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide (PubChem CID 50960614) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide
PubChem CID50960614
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide
SMILESCc1ncccc1OC1(C(=O)NCCNc2ccccc2)CCNCC1
InChIInChI=1S/C20H26N4O2/c1-16-18(8-5-11-22-16)26-20(9-12-21-13-10-20)19(25)24-15-14-23-17-6-3-2-4-7-17/h2-8,11,21,23H,9-10,12-15H2,1H3,(H,24,25)
InChIKeyRGJLPVYWNMESPA-UHFFFAOYSA-N
XLogP2.12
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-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 N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide?
The IUPAC name of N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide (CID 50960614) is N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide?
The canonical SMILES for N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide is Cc1ncccc1OC1(C(=O)NCCNc2ccccc2)CCNCC1.
What is the InChIKey of N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide?
The InChIKey is RGJLPVYWNMESPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-18(8-5-11-22-16)26-20(9-12-21-13-10-20)19(25)24-15-14-23-17-6-3-2-4-7-17/h2-8,11,21,23H,9-10,12-15H2,1H3,(H,24,25).
What are the key properties of N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide?
N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide is sourced from PubChem (CID 50960614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).