2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid

C16H18N2O3S — CID 72905100

IUPAC2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(c1ccsc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C16H18N2O3S/c19-16(20)15(12-5-9-22-11-12)18-7-3-13(4-8-18)21-14-2-1-6-17-10-14/h1-2,5-6,9-11,13,15H,3-4,7-8H2,(H,19,20)
InChIKeyVWXRLFQHRMMJAO-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.81
Rot. Bonds5

About 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid

2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid (PubChem CID 72905100) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid
PubChem CID72905100
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(c1ccsc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C16H18N2O3S/c19-16(20)15(12-5-9-22-11-12)18-7-3-13(4-8-18)21-14-2-1-6-17-10-14/h1-2,5-6,9-11,13,15H,3-4,7-8H2,(H,19,20)
InChIKeyVWXRLFQHRMMJAO-UHFFFAOYSA-N
XLogP2.81
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 69143254
(2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid
CID 97278780
2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid
CID 136550647
2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid
CID 84749119
2-(4-cyclopropylsulfonylpiperazin-1-yl)-2-thiophen-3-ylacetic acid
CID 136555489
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 164642362
(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 99852524
(2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid
CID 97205564
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
(2R)-2-(1,3-benzodioxol-5-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
CID 97211190
2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 136551426

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid (CID 72905100) is 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid is O=C(O)C(c1ccsc1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid?
The InChIKey is VWXRLFQHRMMJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-16(20)15(12-5-9-22-11-12)18-7-3-13(4-8-18)21-14-2-1-6-17-10-14/h1-2,5-6,9-11,13,15H,3-4,7-8H2,(H,19,20).
What are the key properties of 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid?
2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid has a molecular weight of 318.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 72905100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).