N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide

C18H22N2O3S — CID 90522522

IUPACN-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3ccsc3)CC2)c(OC)c1
InChIInChI=1S/C18H22N2O3S/c1-22-15-3-4-16(17(11-15)23-2)19-18(21)20-8-5-13(6-9-20)14-7-10-24-12-14/h3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,19,21)
InChIKeyMEKUPJMBWAQBCK-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.18
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 90522522) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID90522522
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3ccsc3)CC2)c(OC)c1
InChIInChI=1S/C18H22N2O3S/c1-22-15-3-4-16(17(11-15)23-2)19-18(21)20-8-5-13(6-9-20)14-7-10-24-12-14/h3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,19,21)
InChIKeyMEKUPJMBWAQBCK-UHFFFAOYSA-N
XLogP4.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522512
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786960
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 20971191
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818647
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087465
N-(2,4-dimethoxyphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide
CID 90495545

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide (CID 90522522) is N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(c3ccsc3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is MEKUPJMBWAQBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-15-3-4-16(17(11-15)23-2)19-18(21)20-8-5-13(6-9-20)14-7-10-24-12-14/h3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 90522522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).