N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide

C18H22N2O2S — CID 167780143

IUPACN-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(Cc2ccccc2)C2CCNCC2)c1
InChIInChI=1S/C18H22N2O2S/c1-22-16-11-17(23-13-16)18(21)20(15-7-9-19-10-8-15)12-14-5-3-2-4-6-14/h2-6,11,13,15,19H,7-10,12H2,1H3
InChIKeyIJQAFVYIOYPYDD-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.15
Rot. Bonds5

About N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide

N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide (PubChem CID 167780143) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide
PubChem CID167780143
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(Cc2ccccc2)C2CCNCC2)c1
InChIInChI=1S/C18H22N2O2S/c1-22-16-11-17(23-13-16)18(21)20(15-7-9-19-10-8-15)12-14-5-3-2-4-6-14/h2-6,11,13,15,19H,7-10,12H2,1H3
InChIKeyIJQAFVYIOYPYDD-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-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

4-methoxy-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 81122595
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
(2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 129469228
4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 81118506
1-(4-methoxythiophen-2-yl)-2-phenylethanone
CID 81123035
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81116579
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991055
benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
CID 168862112
4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 81122974
5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid
CID 166275349
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide (CID 167780143) is N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide is COc1csc(C(=O)N(Cc2ccccc2)C2CCNCC2)c1.
What is the InChIKey of N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide?
The InChIKey is IJQAFVYIOYPYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-16-11-17(23-13-16)18(21)20(15-7-9-19-10-8-15)12-14-5-3-2-4-6-14/h2-6,11,13,15,19H,7-10,12H2,1H3.
What are the key properties of N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide?
N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 167780143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).