[2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate

C24H27N3O4S — CID 24901589

IUPAC[2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C24H27N3O4S/c1-17(28)30-16-23(29)25-19-11-14-27(15-12-19)13-10-18-6-8-20(9-7-18)31-24-26-21-4-2-3-5-22(21)32-24/h2-9,19H,10-16H2,1H3,(H,25,29)
InChIKeyUNNDDWDUVLBXRL-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.77
Rot. Bonds8

About [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate

[2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate (PubChem CID 24901589) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate
PubChem CID24901589
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name[2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C24H27N3O4S/c1-17(28)30-16-23(29)25-19-11-14-27(15-12-19)13-10-18-6-8-20(9-7-18)31-24-26-21-4-2-3-5-22(21)32-24/h2-9,19H,10-16H2,1H3,(H,25,29)
InChIKeyUNNDDWDUVLBXRL-UHFFFAOYSA-N
XLogP3.77
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate with MolForge

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Related Compounds

1-(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)pyrrolidin-2-one
CID 11189372
N-{1-[4-(Benzothiazol-2-yloxy)-benzyl]-piperidin-4-yl}-2-hydroxy-acetamide
CID 11200344
1-(1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)pyrrolidin-2-one
CID 11223519
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidine-4-carboxamide
CID 11291973
3-(1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)-1,3-oxazolidin-2-one
CID 11315811
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-ol
CID 11416924
2-{4-[2-(Piperidin-1-yl)ethyl]phenoxy}-1,3-benzothiazole
CID 11427736
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidine-4-carboxamide
CID 24901584
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidin-4-amine
CID 24901585
3-(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidin-4-yl)-1,3-oxazolidin-2-one
CID 24901586
3-(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)-1,3-oxazolidin-2-one
CID 24901587
N-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)acetamide
CID 24901588

Frequently Asked Questions

What is the IUPAC name of [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate (CID 24901589) is [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate is CC(=O)OCC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate?
The InChIKey is UNNDDWDUVLBXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-17(28)30-16-23(29)25-19-11-14-27(15-12-19)13-10-18-6-8-20(9-7-18)31-24-26-21-4-2-3-5-22(21)32-24/h2-9,19H,10-16H2,1H3,(H,25,29).
What are the key properties of [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate?
[2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate has a molecular weight of 453.56 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]amino]-2-oxoethyl] acetate is sourced from PubChem (CID 24901589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).