1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid

C13H16N2O4S — CID 43354183

IUPAC1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C13H16N2O4S/c1-8(16)14-11-3-2-10(20-11)12(17)15-6-4-9(5-7-15)13(18)19/h2-3,9H,4-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyCKADBXACFBXAJL-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.64
Rot. Bonds3

About 1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid

1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 43354183) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID43354183
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C13H16N2O4S/c1-8(16)14-11-3-2-10(20-11)12(17)15-6-4-9(5-7-15)13(18)19/h2-3,9H,4-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyCKADBXACFBXAJL-UHFFFAOYSA-N
XLogP1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
CID 60705923
N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 114679938
N-[5-(3-hydroxypiperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 43415885
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162697997
1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea
CID 119374573
N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide
CID 18129572
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439
N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 87026330
2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 24610695

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid (CID 43354183) is 1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid is CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is CKADBXACFBXAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-8(16)14-11-3-2-10(20-11)12(17)15-6-4-9(5-7-15)13(18)19/h2-3,9H,4-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid?
1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 296.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43354183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).