N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C24H26N4O4S — CID 55857604

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)sc2c1
InChIInChI=1S/C24H26N4O4S/c1-16(29)25-18-7-8-20-21(15-18)33-24(26-20)27-23(31)17-9-12-28(13-10-17)22(30)11-14-32-19-5-3-2-4-6-19/h2-8,15,17H,9-14H2,1H3,(H,25,29)(H,26,27,31)
InChIKeyLEIFWBSBZFJHNA-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.90
Rot. Bonds7

About N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55857604) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55857604
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)sc2c1
InChIInChI=1S/C24H26N4O4S/c1-16(29)25-18-7-8-20-21(15-18)33-24(26-20)27-23(31)17-9-12-28(13-10-17)22(30)11-14-32-19-5-3-2-4-6-19/h2-8,15,17H,9-14H2,1H3,(H,25,29)(H,26,27,31)
InChIKeyLEIFWBSBZFJHNA-UHFFFAOYSA-N
XLogP3.90
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55628957
1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
CID 46491516
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034
N-(3-cyclopentyloxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885368
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882738
1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55856174
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 4281794

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55857604) is N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is LEIFWBSBZFJHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-16(29)25-18-7-8-20-21(15-18)33-24(26-20)27-23(31)17-9-12-28(13-10-17)22(30)11-14-32-19-5-3-2-4-6-19/h2-8,15,17H,9-14H2,1H3,(H,25,29)(H,26,27,31).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55857604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).