2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid

C13H17NO3S — CID 54899521

IUPAC2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
SMILESCc1ccsc1C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C13H17NO3S/c1-9-5-7-18-12(9)13(17)14-6-3-2-4-10(14)8-11(15)16/h5,7,10H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyHGIHZEGCPGZUEJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.53
Rot. Bonds3

About 2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid

2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 54899521) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
PubChem CID54899521
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
SMILESCc1ccsc1C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C13H17NO3S/c1-9-5-7-18-12(9)13(17)14-6-3-2-4-10(14)8-11(15)16/h5,7,10H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyHGIHZEGCPGZUEJ-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 53193426
2-[1-(3-chloro-4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 103400059
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378374
[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378375
2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899329
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 119434857
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636453
2-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 81470540
[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(3-methylthiophen-2-yl)methanone
CID 51727015
[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95615876
2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79802677

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid (CID 54899521) is 2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid is Cc1ccsc1C(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is HGIHZEGCPGZUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9-5-7-18-12(9)13(17)14-6-3-2-4-10(14)8-11(15)16/h5,7,10H,2-4,6,8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 267.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).