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

C24H36N4O2S — CID 67125790

IUPACtert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C24H36N4O2S/c1-24(2,3)30-23(29)26-19-6-4-18(5-7-19)9-12-27-13-15-28(16-14-27)22-20-10-17-31-21(20)8-11-25-22/h8,10-11,17-19H,4-7,9,12-16H2,1-3H3,(H,26,29)
InChIKeyKEUHEQIPGJGMDB-UHFFFAOYSA-N
MW444.65 g/mol
LogP4.89
Rot. Bonds5

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

tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate (PubChem CID 67125790) has the molecular formula C24H36N4O2S and a molecular weight of 444.65 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
PubChem CID67125790
Molecular FormulaC24H36N4O2S
Molecular Weight444.65 g/mol
Exact Mass444.26
IUPAC Nametert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C24H36N4O2S/c1-24(2,3)30-23(29)26-19-6-4-18(5-7-19)9-12-27-13-15-28(16-14-27)22-20-10-17-31-21(20)8-11-25-22/h8,10-11,17-19H,4-7,9,12-16H2,1-3H3,(H,26,29)
InChIKeyKEUHEQIPGJGMDB-UHFFFAOYSA-N
XLogP4.89
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.65
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate with MolForge

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Related Compounds

[2-methyl-1-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propan-2-yl] carbamate
CID 174671822
4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride
CID 67125798
N-cyclopropyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 163345555
tert-butyl N-[4-[2-[4-[5,6-dichloro-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 57454169
N-cyclopentyl-2-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)acetamide
CID 171994443
tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate
CID 138048047
4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 174256279
tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 170737838
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 54769741
quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
CID 90309345
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 134135507
N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide
CID 56592334

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate (CID 67125790) is tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate?
The InChIKey is KEUHEQIPGJGMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2S/c1-24(2,3)30-23(29)26-19-6-4-18(5-7-19)9-12-27-13-15-28(16-14-27)22-20-10-17-31-21(20)8-11-25-22/h8,10-11,17-19H,4-7,9,12-16H2,1-3H3,(H,26,29).
What are the key properties of tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate?
tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate has a molecular weight of 444.65 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 67125790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).