N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C18H20N2O3S — CID 78844859

IUPACN-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O3S/c1-23-14-9-7-13(8-10-14)19-17(21)15-5-2-3-11-20(15)18(22)16-6-4-12-24-16/h4,6-10,12,15H,2-3,5,11H2,1H3,(H,19,21)
InChIKeyZBLJAHFLHSHRGJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.39
Rot. Bonds4

About N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78844859) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78844859
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O3S/c1-23-14-9-7-13(8-10-14)19-17(21)15-5-2-3-11-20(15)18(22)16-6-4-12-24-16/h4,6-10,12,15H,2-3,5,11H2,1H3,(H,19,21)
InChIKeyZBLJAHFLHSHRGJ-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
N-(3,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406462
N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42757770
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844516
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2089690
N-(4-fluoro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86927366
methyl 3-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 9323125
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24675292

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78844859) is N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is COc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is ZBLJAHFLHSHRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-14-9-7-13(8-10-14)19-17(21)15-5-2-3-11-20(15)18(22)16-6-4-12-24-16/h4,6-10,12,15H,2-3,5,11H2,1H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78844859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).