1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone

C23H26N4O2S — CID 90617145

IUPAC1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C23H26N4O2S/c28-23(22-25-20-3-1-2-4-21(20)30-22)27-13-7-17(8-14-27)26-15-9-19(10-16-26)29-18-5-11-24-12-6-18/h1-6,11-12,17,19H,7-10,13-16H2
InChIKeyLYEAEBRONRHSPO-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.84
Rot. Bonds4

About 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone

1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90617145) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90617145
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C23H26N4O2S/c28-23(22-25-20-3-1-2-4-21(20)30-22)27-13-7-17(8-14-27)26-15-9-19(10-16-26)29-18-5-11-24-12-6-18/h1-6,11-12,17,19H,7-10,13-16H2
InChIKeyLYEAEBRONRHSPO-UHFFFAOYSA-N
XLogP3.84
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 90617379
4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156264
(2-methylsulfanylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617133
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946
methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
CID 90617337
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084
4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265623
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
3-phenylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617160

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90617145) is 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone is O=C(c1nc2ccccc2s1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is LYEAEBRONRHSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c28-23(22-25-20-3-1-2-4-21(20)30-22)27-13-7-17(8-14-27)26-15-9-19(10-16-26)29-18-5-11-24-12-6-18/h1-6,11-12,17,19H,7-10,13-16H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 422.55 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90617145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).