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

C13H17NO3S — CID 79034345

IUPAC(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)c(C)s1
InChIInChI=1S/C13H17NO3S/c1-8-7-10(9(2)18-8)12(15)14-6-4-3-5-11(14)13(16)17/h7,11H,3-6H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyXQPOJQPJISOWPQ-LLVKDONJSA-N
MW267.35 g/mol
LogP2.44
Rot. Bonds2

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

(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 79034345) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID79034345
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)c(C)s1
InChIInChI=1S/C13H17NO3S/c1-8-7-10(9(2)18-8)12(15)14-6-4-3-5-11(14)13(16)17/h7,11H,3-6H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyXQPOJQPJISOWPQ-LLVKDONJSA-N
XLogP2.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,5-dibromothiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 107949313
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
(2S)-1-(5-bromo-4-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79982145
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
(2R)-1-(2,4-dimethyl-5-nitrobenzoyl)piperidine-2-carboxylic acid
CID 122108496
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
(2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537406
1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 119175727
(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid
CID 129414629

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid (CID 79034345) is (2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid is Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)c(C)s1.
What is the InChIKey of (2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is XQPOJQPJISOWPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8-7-10(9(2)18-8)12(15)14-6-4-3-5-11(14)13(16)17/h7,11H,3-6H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).