N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide

C19H20N2O3S — CID 26080655

IUPACN-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C19H20N2O3S/c22-17(13-20-19(24)16-7-4-12-25-16)21-10-8-15(9-11-21)18(23)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,20,24)
InChIKeyBSSSGKUHYYWKTP-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.60
Rot. Bonds5

About N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 26080655) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID26080655
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C19H20N2O3S/c22-17(13-20-19(24)16-7-4-12-25-16)21-10-8-15(9-11-21)18(23)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,20,24)
InChIKeyBSSSGKUHYYWKTP-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18153023
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 114679823
N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 115775171
N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9037224
N-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 154743258
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 43390914
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide
CID 90632575
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394361
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide (CID 26080655) is N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is BSSSGKUHYYWKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-17(13-20-19(24)16-7-4-12-25-16)21-10-8-15(9-11-21)18(23)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,20,24).
What are the key properties of N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 26080655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).