N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide

C20H24N2O4S — CID 55639759

IUPACN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sccc2C)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C20H24N2O4S/c1-13-7-10-27-18(13)19(23)21-15-12-17(26-3)16(25-2)11-14(15)20(24)22-8-5-4-6-9-22/h7,10-12H,4-6,8-9H2,1-3H3,(H,21,23)
InChIKeyXVDBZOHHNHEXIH-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.95
Rot. Bonds5

About N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide

N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 55639759) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID55639759
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sccc2C)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C20H24N2O4S/c1-13-7-10-27-18(13)19(23)21-15-12-17(26-3)16(25-2)11-14(15)20(24)22-8-5-4-6-9-22/h7,10-12H,4-6,8-9H2,1-3H3,(H,21,23)
InChIKeyXVDBZOHHNHEXIH-UHFFFAOYSA-N
XLogP3.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55639644
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methyl-3-nitrobenzamide
CID 55639880
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119711915
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55639733
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 55639888
2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119711968
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55639331
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55761058
1-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51115354

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide (CID 55639759) is N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide is COc1cc(NC(=O)c2sccc2C)c(C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is XVDBZOHHNHEXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13-7-10-27-18(13)19(23)21-15-12-17(26-3)16(25-2)11-14(15)20(24)22-8-5-4-6-9-22/h7,10-12H,4-6,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide?
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55639759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).