N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide

C25H36N4O2S — CID 54769526

IUPACN-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1)C1CCOCC1
InChIInChI=1S/C25H36N4O2S/c30-25(20-7-16-31-17-8-20)27-21-3-1-19(2-4-21)6-11-28-12-14-29(15-13-28)24-22-9-18-32-23(22)5-10-26-24/h5,9-10,18-21H,1-4,6-8,11-17H2,(H,27,30)
InChIKeyZERNPQRYLXBKKZ-UHFFFAOYSA-N
MW456.66 g/mol
LogP3.91
Rot. Bonds6

About N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide

N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide (PubChem CID 54769526) has the molecular formula C25H36N4O2S and a molecular weight of 456.66 g/mol. Its IUPAC name is N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide
PubChem CID54769526
Molecular FormulaC25H36N4O2S
Molecular Weight456.66 g/mol
Exact Mass456.26
IUPAC NameN-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1)C1CCOCC1
InChIInChI=1S/C25H36N4O2S/c30-25(20-7-16-31-17-8-20)27-21-3-1-19(2-4-21)6-11-28-12-14-29(15-13-28)24-22-9-18-32-23(22)5-10-26-24/h5,9-10,18-21H,1-4,6-8,11-17H2,(H,27,30)
InChIKeyZERNPQRYLXBKKZ-UHFFFAOYSA-N
XLogP3.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.66
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide 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

CID 118719606
CID 118719606
CID 13914143
CID 13914143
CID 45259319
CID 45259319
CID 45263941
CID 45263941
CID 137651544
CID 137651544
CID 15045455
CID 15045455
CID 54768043
CID 54768043
CID 54768824
CID 54768824
CID 54769298
CID 54769298
CID 54769299
CID 54769299
CID 54769521
CID 54769521
CID 54769522
CID 54769522

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide (CID 54769526) is N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide is O=C(NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1)C1CCOCC1.
What is the InChIKey of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide?
The InChIKey is ZERNPQRYLXBKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2S/c30-25(20-7-16-31-17-8-20)27-21-3-1-19(2-4-21)6-11-28-12-14-29(15-13-28)24-22-9-18-32-23(22)5-10-26-24/h5,9-10,18-21H,1-4,6-8,11-17H2,(H,27,30).
What are the key properties of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide?
N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide has a molecular weight of 456.66 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]oxane-4-carboxamide is sourced from PubChem (CID 54769526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).