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

C22H28N2O3S — CID 112804110

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3cc(C)c(CC)s3)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-4-19-15(3)14-20(28-19)21(25)23-17-10-12-24(13-11-17)22(26)16-6-8-18(9-7-16)27-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,23,25)
InChIKeyITIVWACQPQWFDI-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.05
Rot. Bonds6

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

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 112804110) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID112804110
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3cc(C)c(CC)s3)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-4-19-15(3)14-20(28-19)21(25)23-17-10-12-24(13-11-17)22(26)16-6-8-18(9-7-16)27-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,23,25)
InChIKeyITIVWACQPQWFDI-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 112804112
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 112804142
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-nitrothiophene-3-carboxamide
CID 112834504
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 55959793
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112838966
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
2-(4-chlorophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112804170
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 112804110) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide is CCOc1ccc(C(=O)N2CCC(NC(=O)c3cc(C)c(CC)s3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is ITIVWACQPQWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-19-15(3)14-20(28-19)21(25)23-17-10-12-24(13-11-17)22(26)16-6-8-18(9-7-16)27-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 112804110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).