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

C11H13NO3S — CID 760311

IUPAC1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H13NO3S/c13-10(9-2-1-7-16-9)12-5-3-8(4-6-12)11(14)15/h1-2,7-8H,3-6H2,(H,14,15)
InChIKeyNSWSBWQLPNNZQJ-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.68
Rot. Bonds2

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

1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 760311) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID760311
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H13NO3S/c13-10(9-2-1-7-16-9)12-5-3-8(4-6-12)11(14)15/h1-2,7-8H,3-6H2,(H,14,15)
InChIKeyNSWSBWQLPNNZQJ-UHFFFAOYSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 8732831
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid (CID 760311) is 1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is NSWSBWQLPNNZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-10(9-2-1-7-16-9)12-5-3-8(4-6-12)11(14)15/h1-2,7-8H,3-6H2,(H,14,15).
What are the key properties of 1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid?
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 760311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).