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

C13H17NO3S — CID 43355862

IUPAC1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC(C(=O)O)C2)c(C)s1
InChIInChI=1S/C13H17NO3S/c1-8-6-11(9(2)18-8)12(15)14-5-3-4-10(7-14)13(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyCNOYAIOXQDBCNU-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.30
Rot. Bonds2

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

1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43355862) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID43355862
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC(C(=O)O)C2)c(C)s1
InChIInChI=1S/C13H17NO3S/c1-8-6-11(9(2)18-8)12(15)14-5-3-4-10(7-14)13(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyCNOYAIOXQDBCNU-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid
CID 62689906
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
(3S)-1-(2-chloro-4,5-dimethylbenzoyl)piperidine-3-carboxylic acid
CID 120514108
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
(3S)-1-(2,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113499
tert-butyl N-[2-[[1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate
CID 49077996
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 79034345
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
(3S)-1-(3-fluoro-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 122107144
(3S)-1-(3-bromo-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 81125596

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid (CID 43355862) is 1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid is Cc1cc(C(=O)N2CCCC(C(=O)O)C2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is CNOYAIOXQDBCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8-6-11(9(2)18-8)12(15)14-5-3-4-10(7-14)13(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.30, 2 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)piperidine-3-carboxylic acid is sourced from PubChem (CID 43355862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).