N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C23H25N3O3S — CID 20883697

IUPACN-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(C(C)=O)cc4)CC3)sc2c1
InChIInChI=1S/C23H25N3O3S/c1-3-29-19-8-9-20-21(14-19)30-23(25-20)26-12-10-17(11-13-26)22(28)24-18-6-4-16(5-7-18)15(2)27/h4-9,14,17H,3,10-13H2,1-2H3,(H,24,28)
InChIKeyCWTUCBCHVFCZTQ-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.75
Rot. Bonds6

About N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 20883697) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID20883697
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(C(C)=O)cc4)CC3)sc2c1
InChIInChI=1S/C23H25N3O3S/c1-3-29-19-8-9-20-21(14-19)30-23(25-20)26-12-10-17(11-13-26)22(28)24-18-6-4-16(5-7-18)15(2)27/h4-9,14,17H,3,10-13H2,1-2H3,(H,24,28)
InChIKeyCWTUCBCHVFCZTQ-UHFFFAOYSA-N
XLogP4.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 6625002
N-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604241
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171995182
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20883789
N-[4-(dimethylamino)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611514
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609600
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 20886718
methyl 4-[[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609797
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 90611508
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 90609789
butyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609345

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 20883697) is N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is CCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(C(C)=O)cc4)CC3)sc2c1.
What is the InChIKey of N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is CWTUCBCHVFCZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-29-19-8-9-20-21(14-19)30-23(25-20)26-12-10-17(11-13-26)22(28)24-18-6-4-16(5-7-18)15(2)27/h4-9,14,17H,3,10-13H2,1-2H3,(H,24,28).
What are the key properties of N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20883697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).