3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C16H24N2O2S — CID 142686707

IUPAC3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESO=C(OCCCN1CCCCC1)N1CCc2ccsc2C1
InChIInChI=1S/C16H24N2O2S/c19-16(18-10-5-14-6-12-21-15(14)13-18)20-11-4-9-17-7-2-1-3-8-17/h6,12H,1-5,7-11,13H2
InChIKeyDTHMIAMAQBSJHF-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.12
Rot. Bonds4

About 3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 142686707) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID142686707
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESO=C(OCCCN1CCCCC1)N1CCc2ccsc2C1
InChIInChI=1S/C16H24N2O2S/c19-16(18-10-5-14-6-12-21-15(14)13-18)20-11-4-9-17-7-2-1-3-8-17/h6,12H,1-5,7-11,13H2
InChIKeyDTHMIAMAQBSJHF-UHFFFAOYSA-N
XLogP3.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686727
2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686734
2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686755
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
(3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686728
3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride
CID 21482221
6-prop-1-en-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 70216021
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
tert-butyl 7-(4-piperidin-1-ylbutoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 59640456
4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid
CID 122023007
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 142428400

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of 3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 142686707) is 3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for 3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for 3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is O=C(OCCCN1CCCCC1)N1CCc2ccsc2C1.
What is the InChIKey of 3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is DTHMIAMAQBSJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(18-10-5-14-6-12-21-15(14)13-18)20-11-4-9-17-7-2-1-3-8-17/h6,12H,1-5,7-11,13H2.
What are the key properties of 3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 308.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 142686707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).