5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide

C26H31N3O3S — CID 112804098

IUPAC5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCCCc3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C26H31N3O3S/c1-2-32-21-13-11-19(12-14-21)26(31)29-17-15-20(16-18-29)27-24(30)9-5-6-10-25-28-22-7-3-4-8-23(22)33-25/h3-4,7-8,11-14,20H,2,5-6,9-10,15-18H2,1H3,(H,27,30)
InChIKeyFHMBXIYEGOFYNE-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.83
Rot. Bonds9

About 5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide

5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide (PubChem CID 112804098) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide
PubChem CID112804098
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCCCc3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C26H31N3O3S/c1-2-32-21-13-11-19(12-14-21)26(31)29-17-15-20(16-18-29)27-24(30)9-5-6-10-25-28-22-7-3-4-8-23(22)33-25/h3-4,7-8,11-14,20H,2,5-6,9-10,15-18H2,1H3,(H,27,30)
InChIKeyFHMBXIYEGOFYNE-UHFFFAOYSA-N
XLogP4.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 31843835
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 112834506
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 112824013
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
ethyl 4-[[N'-[3-(1,3-benzothiazol-2-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111037819
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
CID 9215184
5-(1,3-benzothiazol-2-yl)-1-(4-benzoylpiperazin-1-yl)pentan-1-one
CID 31363186
N-(4-aminocyclohexyl)-4-(1,3-benzothiazol-2-yl)butanamide;dihydrochloride
CID 119478669
5-(1,3-benzothiazol-2-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119644362
4-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502240
ethyl 4-[2-(1,3-benzothiazol-2-yl)ethylamino]piperidine-1-carboxylate
CID 57059005

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide (CID 112804098) is 5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide is CCOc1ccc(C(=O)N2CCC(NC(=O)CCCCc3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide?
The InChIKey is FHMBXIYEGOFYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-2-32-21-13-11-19(12-14-21)26(31)29-17-15-20(16-18-29)27-24(30)9-5-6-10-25-28-22-7-3-4-8-23(22)33-25/h3-4,7-8,11-14,20H,2,5-6,9-10,15-18H2,1H3,(H,27,30).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide?
5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide has a molecular weight of 465.62 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 112804098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).