(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid

C11H13NO3S — CID 858666

IUPAC(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H13NO3S/c13-10(9-4-2-6-16-9)12-5-1-3-8(7-12)11(14)15/h2,4,6,8H,1,3,5,7H2,(H,14,15)/t8-/m1/s1
InChIKeyQRAUNYQIFWYKTC-MRVPVSSYSA-N
MW239.30 g/mol
LogP1.68
Rot. Bonds2

About (3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 858666) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is (3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID858666
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H13NO3S/c13-10(9-4-2-6-16-9)12-5-1-3-8(7-12)11(14)15/h2,4,6,8H,1,3,5,7H2,(H,14,15)/t8-/m1/s1
InChIKeyQRAUNYQIFWYKTC-MRVPVSSYSA-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-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167862
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid (CID 858666) is (3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of (3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is QRAUNYQIFWYKTC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-10(9-4-2-6-16-9)12-5-1-3-8(7-12)11(14)15/h2,4,6,8H,1,3,5,7H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(thiophene-2-carbonyl)piperidine-3-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 (3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 858666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).