2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid

C16H18N2O2S — CID 136550647

IUPAC2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid
SMILESO=C(O)C(c1cccnc1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H18N2O2S/c19-16(20)15(13-2-1-6-17-10-13)18-7-3-12(4-8-18)14-5-9-21-11-14/h1-2,5-6,9-12,15H,3-4,7-8H2,(H,19,20)
InChIKeyOQOXBJWHCCITNY-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.15
Rot. Bonds4

About 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid

2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid (PubChem CID 136550647) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid
PubChem CID136550647
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid
SMILESO=C(O)C(c1cccnc1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H18N2O2S/c19-16(20)15(13-2-1-6-17-10-13)18-7-3-12(4-8-18)14-5-9-21-11-14/h1-2,5-6,9-12,15H,3-4,7-8H2,(H,19,20)
InChIKeyOQOXBJWHCCITNY-UHFFFAOYSA-N
XLogP3.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic 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-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid
CID 72905100
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid
CID 136550171
(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 164642362
1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4660480
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
CID 95984069
3-phenylsulfanyl-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
CID 71786987
2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid
CID 84749119
N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 72837629

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid (CID 136550647) is 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid is O=C(O)C(c1cccnc1)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid?
The InChIKey is OQOXBJWHCCITNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(20)15(13-2-1-6-17-10-13)18-7-3-12(4-8-18)14-5-9-21-11-14/h1-2,5-6,9-12,15H,3-4,7-8H2,(H,19,20).
What are the key properties of 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid?
2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid has a molecular weight of 302.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 136550647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).