N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide

C21H27N3O2S — CID 16613362

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1C
InChIInChI=1S/C21H27N3O2S/c1-3-18-15(2)13-19(27-18)21(26)23-17-9-11-24(12-10-17)14-20(25)22-16-7-5-4-6-8-16/h4-8,13,17H,3,9-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFXYBTPWDLKWXMP-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.45
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 16613362) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID16613362
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1C
InChIInChI=1S/C21H27N3O2S/c1-3-18-15(2)13-19(27-18)21(26)23-17-9-11-24(12-10-17)14-20(25)22-16-7-5-4-6-8-16/h4-8,13,17H,3,9-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFXYBTPWDLKWXMP-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16589774
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 16589845
5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 55959793
5-methyl-N-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 49448378
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 30863359
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide
CID 46532852
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 112804110
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 16613362) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1C.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is FXYBTPWDLKWXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-18-15(2)13-19(27-18)21(26)23-17-9-11-24(12-10-17)14-20(25)22-16-7-5-4-6-8-16/h4-8,13,17H,3,9-12,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 16613362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).