2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid

C16H23N3O2S — CID 72931809

IUPAC2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid
SMILESO=C(O)C(c1ccc(N2CCCCC2)nc1)N1CCSCC1
InChIInChI=1S/C16H23N3O2S/c20-16(21)15(19-8-10-22-11-9-19)13-4-5-14(17-12-13)18-6-2-1-3-7-18/h4-5,12,15H,1-3,6-11H2,(H,20,21)
InChIKeyBMIVZPAZKORGTM-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.25
Rot. Bonds4

About 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid

2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid (PubChem CID 72931809) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid
PubChem CID72931809
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid
SMILESO=C(O)C(c1ccc(N2CCCCC2)nc1)N1CCSCC1
InChIInChI=1S/C16H23N3O2S/c20-16(21)15(19-8-10-22-11-9-19)13-4-5-14(17-12-13)18-6-2-1-3-7-18/h4-5,12,15H,1-3,6-11H2,(H,20,21)
InChIKeyBMIVZPAZKORGTM-UHFFFAOYSA-N
XLogP2.25
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-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

(2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid
CID 97203633
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 72900257
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
2-amino-1-(6-piperidin-1-yl-3-pyridinyl)ethanol
CID 83890136
1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
CID 102546754
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiomorpholin-4-ylacetic acid
CID 97191408
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
CID 72858935
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
CID 97204051
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901

Frequently Asked Questions

What is the IUPAC name of 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid?
The IUPAC name of 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid (CID 72931809) is 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid.
What is the SMILES notation for 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid?
The canonical SMILES for 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid is O=C(O)C(c1ccc(N2CCCCC2)nc1)N1CCSCC1.
What is the InChIKey of 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid?
The InChIKey is BMIVZPAZKORGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-16(21)15(19-8-10-22-11-9-19)13-4-5-14(17-12-13)18-6-2-1-3-7-18/h4-5,12,15H,1-3,6-11H2,(H,20,21).
What are the key properties of 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid?
2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid has a molecular weight of 321.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid is sourced from PubChem (CID 72931809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).