N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide

C22H27N3O4S2 — CID 55954715

IUPACN-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1
InChIInChI=1S/C22H27N3O4S2/c1-14-24-20-18(31-14)12-17(16-6-11-30-21(16)20)29-13-19(26)25-8-4-15(5-9-25)22(27)23-7-3-10-28-2/h6,11-12,15H,3-5,7-10,13H2,1-2H3,(H,23,27)
InChIKeyOOMGNURDJFDSSH-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.59
Rot. Bonds8

About N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide (PubChem CID 55954715) has the molecular formula C22H27N3O4S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide
PubChem CID55954715
Molecular FormulaC22H27N3O4S2
Molecular Weight461.61 g/mol
Exact Mass461.14
IUPAC NameN-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1
InChIInChI=1S/C22H27N3O4S2/c1-14-24-20-18(31-14)12-17(16-6-11-30-21(16)20)29-13-19(26)25-8-4-15(5-9-25)22(27)23-7-3-10-28-2/h6,11-12,15H,3-5,7-10,13H2,1-2H3,(H,23,27)
InChIKeyOOMGNURDJFDSSH-UHFFFAOYSA-N
XLogP3.59
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide
CID 55694016
N-benzyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide
CID 46492982
1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone
CID 51172564
6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide
CID 60514412
1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone
CID 55758181
N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
CID 29015348
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 60551898
1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974467
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate
CID 56580860
N-methyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
CID 62451687
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 72898570

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide (CID 55954715) is N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide?
The InChIKey is OOMGNURDJFDSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S2/c1-14-24-20-18(31-14)12-17(16-6-11-30-21(16)20)29-13-19(26)25-8-4-15(5-9-25)22(27)23-7-3-10-28-2/h6,11-12,15H,3-5,7-10,13H2,1-2H3,(H,23,27).
What are the key properties of N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55954715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).