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

C22H32N4OS — CID 54769299

IUPACN-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C22H32N4OS/c1-2-21(27)24-18-5-3-17(4-6-18)8-11-25-12-14-26(15-13-25)22-19-9-16-28-20(19)7-10-23-22/h7,9-10,16-18H,2-6,8,11-15H2,1H3,(H,24,27)
InChIKeyTYZKGCIDJUPIPC-UHFFFAOYSA-N
MW400.59 g/mol
LogP3.89
Rot. Bonds6

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

N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide (PubChem CID 54769299) has the molecular formula C22H32N4OS and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide
PubChem CID54769299
Molecular FormulaC22H32N4OS
Molecular Weight400.59 g/mol
Exact Mass400.23
IUPAC NameN-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C22H32N4OS/c1-2-21(27)24-18-5-3-17(4-6-18)8-11-25-12-14-26(15-13-25)22-19-9-16-28-20(19)7-10-23-22/h7,9-10,16-18H,2-6,8,11-15H2,1H3,(H,24,27)
InChIKeyTYZKGCIDJUPIPC-UHFFFAOYSA-N
XLogP3.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide?
The IUPAC name of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide (CID 54769299) is N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide.
What is the SMILES notation for N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide?
The canonical SMILES for N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide is CCC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide?
The InChIKey is TYZKGCIDJUPIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OS/c1-2-21(27)24-18-5-3-17(4-6-18)8-11-25-12-14-26(15-13-25)22-19-9-16-28-20(19)7-10-23-22/h7,9-10,16-18H,2-6,8,11-15H2,1H3,(H,24,27).
What are the key properties of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide?
N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide has a molecular weight of 400.59 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]propanamide is sourced from PubChem (CID 54769299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).