2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid

C13H17NO3S — CID 78980342

IUPAC2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
SMILESCc1ccsc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H17NO3S/c1-9-4-7-18-12(9)13(17)14-5-2-10(3-6-14)8-11(15)16/h4,7,10H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyAPVJDPYSEWHGKU-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.38
Rot. Bonds3

About 2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid

2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 78980342) 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-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
PubChem CID78980342
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
SMILESCc1ccsc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H17NO3S/c1-9-4-7-18-12(9)13(17)14-5-2-10(3-6-14)8-11(15)16/h4,7,10H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyAPVJDPYSEWHGKU-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899521
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 17395338
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030
2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
CID 79614738
[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-(3-methylthiophen-2-yl)methanone
CID 91794608

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid (CID 78980342) is 2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid is Cc1ccsc1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is APVJDPYSEWHGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9-4-7-18-12(9)13(17)14-5-2-10(3-6-14)8-11(15)16/h4,7,10H,2-3,5-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 267.35 g/mol, XLogP of 2.38, 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-4-yl]acetic acid is sourced from PubChem (CID 78980342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).