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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).