1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one

C25H29N3O3S — CID 11328449

IUPAC1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one
SMILESO=C1CCCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C25H29N3O3S/c29-24-7-3-4-14-28(24)19-12-15-27(16-13-19)17-18-30-20-8-10-21(11-9-20)31-25-26-22-5-1-2-6-23(22)32-25/h1-2,5-6,8-11,19H,3-4,7,12-18H2
InChIKeyPCDBONUTTZAAAS-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.94
Rot. Bonds7

About 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one

1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one (PubChem CID 11328449) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one
PubChem CID11328449
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one
SMILESO=C1CCCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C25H29N3O3S/c29-24-7-3-4-14-28(24)19-12-15-27(16-13-19)17-18-30-20-8-10-21(11-9-20)31-25-26-22-5-1-2-6-23(22)32-25/h1-2,5-6,8-11,19H,3-4,7,12-18H2
InChIKeyPCDBONUTTZAAAS-UHFFFAOYSA-N
XLogP4.94
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one 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
1-(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidin-4-yl)pyrrolidin-2-one
CID 11201443
(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidin-4-yl)methanol
CID 11211303
2-{4-[2-(Azepan-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 11257168
1-{2-[4-(Benzothiazol-2-yloxy)-phenoxy]-ethyl}-piperidin-4-ol
CID 11303210
3-(1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)-1,3-oxazolidin-2-one
CID 11315811
2-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 11484587
2-{4-[2-(Piperidin-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 24901580
4-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}morpholine
CID 24901583
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one (CID 11328449) is 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one is O=C1CCCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one?
The InChIKey is PCDBONUTTZAAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c29-24-7-3-4-14-28(24)19-12-15-27(16-13-19)17-18-30-20-8-10-21(11-9-20)31-25-26-22-5-1-2-6-23(22)32-25/h1-2,5-6,8-11,19H,3-4,7,12-18H2.
What are the key properties of 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one?
1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one has a molecular weight of 451.59 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 11328449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).