1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

C16H23NO3S — CID 63138048

IUPAC1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2cc(C)sc2C)C1
InChIInChI=1S/C16H23NO3S/c1-4-6-16(15(19)20)7-5-8-17(10-16)14(18)13-9-11(2)21-12(13)3/h9H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyVGEWNOXBAOKQPY-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.47
Rot. Bonds4

About 1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63138048) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63138048
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2cc(C)sc2C)C1
InChIInChI=1S/C16H23NO3S/c1-4-6-16(15(19)20)7-5-8-17(10-16)14(18)13-9-11(2)21-12(13)3/h9H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyVGEWNOXBAOKQPY-UHFFFAOYSA-N
XLogP3.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134677
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 97131360
1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145995
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63850654
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
1-(2,5-dimethylbenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145288
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
1-(5-bromo-4-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 79981392
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017533

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 63138048) is 1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)c2cc(C)sc2C)C1.
What is the InChIKey of 1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is VGEWNOXBAOKQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-6-16(15(19)20)7-5-8-17(10-16)14(18)13-9-11(2)21-12(13)3/h9H,4-8,10H2,1-3H3,(H,19,20).
What are the key properties of 1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 309.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63138048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).