5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid

C12H15NO3S — CID 43414439

IUPAC5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C12H15NO3S/c1-8-4-6-13(7-5-8)11(14)9-2-3-10(17-9)12(15)16/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyFQYQKPGBDZCQJX-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.32
Rot. Bonds2

About 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid

5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 43414439) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID43414439
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C12H15NO3S/c1-8-4-6-13(7-5-8)11(14)9-2-3-10(17-9)12(15)16/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyFQYQKPGBDZCQJX-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate
CID 134057736
5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 106670963
5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 60978074
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid
CID 79169988
[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)thiophene-2-carboxylic acid
CID 119186671
5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 115730350
5-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 63175273
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 60721956
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid (CID 43414439) is 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid is CC1CCN(C(=O)c2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is FQYQKPGBDZCQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-8-4-6-13(7-5-8)11(14)9-2-3-10(17-9)12(15)16/h2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid?
5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43414439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).