N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C21H26N2O3S — CID 18119295

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-5-7-18(8-6-16)26-14-13-22(2)20(24)17-9-11-23(12-10-17)21(25)19-4-3-15-27-19/h3-8,15,17H,9-14H2,1-2H3
InChIKeyIHDLQFKHTAYFLB-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 18119295) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID18119295
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-5-7-18(8-6-16)26-14-13-22(2)20(24)17-9-11-23(12-10-17)21(25)19-4-3-15-27-19/h3-8,15,17H,9-14H2,1-2H3
InChIKeyIHDLQFKHTAYFLB-UHFFFAOYSA-N
XLogP3.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)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

Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 41443867
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55406950
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 33188030
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 56572818
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55862816
N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86920742
1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 55870530
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 18119295) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is Cc1ccc(OCCN(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is IHDLQFKHTAYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-5-7-18(8-6-16)26-14-13-22(2)20(24)17-9-11-23(12-10-17)21(25)19-4-3-15-27-19/h3-8,15,17H,9-14H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 18119295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).