2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid

C19H20N2O4S — CID 113083187

IUPAC2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H20N2O4S/c22-17(12-14-4-3-11-26-14)21-9-7-13(8-10-21)20-18(23)15-5-1-2-6-16(15)19(24)25/h1-6,11,13H,7-10,12H2,(H,20,23)(H,24,25)
InChIKeyHIAJWXVLTNHVJY-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.41
Rot. Bonds5

About 2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid

2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid (PubChem CID 113083187) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
PubChem CID113083187
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H20N2O4S/c22-17(12-14-4-3-11-26-14)21-9-7-13(8-10-21)20-18(23)15-5-1-2-6-16(15)19(24)25/h1-6,11,13H,7-10,12H2,(H,20,23)(H,24,25)
InChIKeyHIAJWXVLTNHVJY-UHFFFAOYSA-N
XLogP2.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trifluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108556797
1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 86834875
5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
CID 110820702
N-cyclopropyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 46156025
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 110820695
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108558668
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid (CID 113083187) is 2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NC1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid?
The InChIKey is HIAJWXVLTNHVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c22-17(12-14-4-3-11-26-14)21-9-7-13(8-10-21)20-18(23)15-5-1-2-6-16(15)19(24)25/h1-6,11,13H,7-10,12H2,(H,20,23)(H,24,25).
What are the key properties of 2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid?
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid has a molecular weight of 372.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 113083187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).