3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C16H25N3O2S — CID 142686727

IUPAC3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCN1CCN(CCCOC(=O)N2CCc3ccsc3C2)CC1
InChIInChI=1S/C16H25N3O2S/c1-17-7-9-18(10-8-17)5-2-11-21-16(20)19-6-3-14-4-12-22-15(14)13-19/h4,12H,2-3,5-11,13H2,1H3
InChIKeyFWVPDMYSBDNADH-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.88
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 142686727) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID142686727
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCN1CCN(CCCOC(=O)N2CCc3ccsc3C2)CC1
InChIInChI=1S/C16H25N3O2S/c1-17-7-9-18(10-8-17)5-2-11-21-16(20)19-6-3-14-4-12-22-15(14)13-19/h4,12H,2-3,5-11,13H2,1H3
InChIKeyFWVPDMYSBDNADH-UHFFFAOYSA-N
XLogP1.88
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate 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

3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686707
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
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-(4-methylpiperazin-1-yl)ethanone
CID 25116648
4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid
CID 122023007
butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 167664571
3-(4-methylpiperazin-1-yl)propyl propanoate
CID 70867774
2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide
CID 142795808
[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-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 142686727) is 3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CN1CCN(CCCOC(=O)N2CCc3ccsc3C2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is FWVPDMYSBDNADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-17-7-9-18(10-8-17)5-2-11-21-16(20)19-6-3-14-4-12-22-15(14)13-19/h4,12H,2-3,5-11,13H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 323.46 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 142686727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).