4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid

C14H19NO3S — CID 63125245

IUPAC4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H19NO3S/c1-2-5-14(13(17)18)6-8-15(9-7-14)12(16)11-4-3-10-19-11/h3-4,10H,2,5-9H2,1H3,(H,17,18)
InChIKeyQQCRCKRIUHNMNW-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.86
Rot. Bonds4

About 4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid

4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63125245) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID63125245
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H19NO3S/c1-2-5-14(13(17)18)6-8-15(9-7-14)12(16)11-4-3-10-19-11/h3-4,10H,2,5-9H2,1H3,(H,17,18)
InChIKeyQQCRCKRIUHNMNW-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125171
1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125677
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145705
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid (CID 63125245) is 4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is QQCRCKRIUHNMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-5-14(13(17)18)6-8-15(9-7-14)12(16)11-4-3-10-19-11/h3-4,10H,2,5-9H2,1H3,(H,17,18).
What are the key properties of 4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid?
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).