1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid

C15H16N2O3S — CID 122089108

IUPAC1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2csc3ccccc23)CC1
InChIInChI=1S/C15H16N2O3S/c18-14(19)10-5-7-17(8-6-10)15(20)16-12-9-21-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2,(H,16,20)(H,18,19)
InChIKeyWSTOAOMVRNWZAB-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.23
Rot. Bonds2

About 1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid

1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 122089108) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID122089108
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2csc3ccccc23)CC1
InChIInChI=1S/C15H16N2O3S/c18-14(19)10-5-7-17(8-6-10)15(20)16-12-9-21-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2,(H,16,20)(H,18,19)
InChIKeyWSTOAOMVRNWZAB-UHFFFAOYSA-N
XLogP3.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122102767
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879
1-(1-benzothiophen-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122080117
1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122093009
4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 46292798
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447
1-[1-benzothiophen-3-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 3514856
1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea
CID 2813504
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
4-[(1-benzothiophen-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79529921

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid (CID 122089108) is 1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2csc3ccccc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is WSTOAOMVRNWZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-14(19)10-5-7-17(8-6-10)15(20)16-12-9-21-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2,(H,16,20)(H,18,19).
What are the key properties of 1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid?
1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122089108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).