N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide

C18H22N2O2S — CID 71809641

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3cc(C)cs3)cc2)CC1
InChIInChI=1S/C18H22N2O2S/c1-13-11-17(23-12-13)18(21)19-14-3-5-15(6-4-14)20-9-7-16(22-2)8-10-20/h3-6,11-12,16H,7-10H2,1-2H3,(H,19,21)
InChIKeyAJHICLPZWFTVBH-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.92
Rot. Bonds4

About N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide

N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide (PubChem CID 71809641) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
PubChem CID71809641
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3cc(C)cs3)cc2)CC1
InChIInChI=1S/C18H22N2O2S/c1-13-11-17(23-12-13)18(21)19-14-3-5-15(6-4-14)20-9-7-16(22-2)8-10-20/h3-6,11-12,16H,7-10H2,1-2H3,(H,19,21)
InChIKeyAJHICLPZWFTVBH-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
CID 71809682
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide
CID 90595853
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 90595803
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595833

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide (CID 71809641) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide is COC1CCN(c2ccc(NC(=O)c3cc(C)cs3)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide?
The InChIKey is AJHICLPZWFTVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-11-17(23-12-13)18(21)19-14-3-5-15(6-4-14)20-9-7-16(22-2)8-10-20/h3-6,11-12,16H,7-10H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide?
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 71809641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).