2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid

C15H21NO3S — CID 62689218

IUPAC2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
SMILESCCc1cc(C(=O)N2CCCC(CC(=O)O)C2)sc1C
InChIInChI=1S/C15H21NO3S/c1-3-12-8-13(20-10(12)2)15(19)16-6-4-5-11(9-16)7-14(17)18/h8,11H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyZHUIOXRORWCTMB-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.95
Rot. Bonds4

About 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid

2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62689218) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62689218
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
SMILESCCc1cc(C(=O)N2CCCC(CC(=O)O)C2)sc1C
InChIInChI=1S/C15H21NO3S/c1-3-12-8-13(20-10(12)2)15(19)16-6-4-5-11(9-16)7-14(17)18/h8,11H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyZHUIOXRORWCTMB-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.95
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
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919176
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917459
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 61009393
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 34324943
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 65238887
2-[1-(5-ethyl-4-methylthiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605779
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136
(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758886

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid (CID 62689218) is 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid is CCc1cc(C(=O)N2CCCC(CC(=O)O)C2)sc1C.
What is the InChIKey of 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is ZHUIOXRORWCTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-12-8-13(20-10(12)2)15(19)16-6-4-5-11(9-16)7-14(17)18/h8,11H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 295.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).