N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide

C25H38N6OS — CID 25013011

IUPACN-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide
SMILESCN(C)c1nsc(N2CCC(C3CCN(c4ccc(C(=O)NC(C)(C)C)cc4)CC3)CC2)n1
InChIInChI=1S/C25H38N6OS/c1-25(2,3)27-22(32)20-6-8-21(9-7-20)30-14-10-18(11-15-30)19-12-16-31(17-13-19)24-26-23(28-33-24)29(4)5/h6-9,18-19H,10-17H2,1-5H3,(H,27,32)
InChIKeyUFRBSZHJGFQCHV-UHFFFAOYSA-N
MW470.69 g/mol
LogP4.27
Rot. Bonds5

About N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide

N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide (PubChem CID 25013011) has the molecular formula C25H38N6OS and a molecular weight of 470.69 g/mol. Its IUPAC name is N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide
PubChem CID25013011
Molecular FormulaC25H38N6OS
Molecular Weight470.69 g/mol
Exact Mass470.28
IUPAC NameN-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide
SMILESCN(C)c1nsc(N2CCC(C3CCN(c4ccc(C(=O)NC(C)(C)C)cc4)CC3)CC2)n1
InChIInChI=1S/C25H38N6OS/c1-25(2,3)27-22(32)20-6-8-21(9-7-20)30-14-10-18(11-15-30)19-12-16-31(17-13-19)24-26-23(28-33-24)29(4)5/h6-9,18-19H,10-17H2,1-5H3,(H,27,32)
InChIKeyUFRBSZHJGFQCHV-UHFFFAOYSA-N
XLogP4.27
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.69
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 59178918
6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide
CID 25013012
N,N-dimethyl-4-[4-(1-phenylpiperidin-4-yl)piperidin-1-yl]benzamide
CID 140931570
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide
CID 141146312
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide
CID 110692228
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
4-(4-methylpiperidin-1-yl)benzoate
CID 7023615
N-tert-butyl-4-pyrrol-1-ylbenzamide
CID 51261804
tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate
CID 59178971
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide?
The IUPAC name of N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide (CID 25013011) is N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide?
The canonical SMILES for N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide is CN(C)c1nsc(N2CCC(C3CCN(c4ccc(C(=O)NC(C)(C)C)cc4)CC3)CC2)n1.
What is the InChIKey of N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide?
The InChIKey is UFRBSZHJGFQCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6OS/c1-25(2,3)27-22(32)20-6-8-21(9-7-20)30-14-10-18(11-15-30)19-12-16-31(17-13-19)24-26-23(28-33-24)29(4)5/h6-9,18-19H,10-17H2,1-5H3,(H,27,32).
What are the key properties of N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide?
N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide has a molecular weight of 470.69 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzamide is sourced from PubChem (CID 25013011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).