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

C20H27N3O3S — CID 171995182

IUPAC1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCCOc1ccc2nc(N3CCC(C(=O)NC4CCOCC4)CC3)sc2c1
InChIInChI=1S/C20H27N3O3S/c1-2-26-16-3-4-17-18(13-16)27-20(22-17)23-9-5-14(6-10-23)19(24)21-15-7-11-25-12-8-15/h3-4,13-15H,2,5-12H2,1H3,(H,21,24)
InChIKeyUKDBLZQDBUKYNX-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.21
Rot. Bonds5

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

1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 171995182) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID171995182
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCCOc1ccc2nc(N3CCC(C(=O)NC4CCOCC4)CC3)sc2c1
InChIInChI=1S/C20H27N3O3S/c1-2-26-16-3-4-17-18(13-16)27-20(22-17)23-9-5-14(6-10-23)19(24)21-15-7-11-25-12-8-15/h3-4,13-15H,2,5-12H2,1H3,(H,21,24)
InChIKeyUKDBLZQDBUKYNX-UHFFFAOYSA-N
XLogP3.21
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20883697
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 6625002
N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 55916766
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 20886718
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20883789
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609600
N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883827
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
CID 71802530
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
(3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124771992
N-methoxy-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611632
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 20883813

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide (CID 171995182) is 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide is CCOc1ccc2nc(N3CCC(C(=O)NC4CCOCC4)CC3)sc2c1.
What is the InChIKey of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is UKDBLZQDBUKYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-2-26-16-3-4-17-18(13-16)27-20(22-17)23-9-5-14(6-10-23)19(24)21-15-7-11-25-12-8-15/h3-4,13-15H,2,5-12H2,1H3,(H,21,24).
What are the key properties of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide?
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 171995182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).