1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one

C25H35N3O5S — CID 90617741

IUPAC1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(OC)c(CCC(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)c(OC)c1
InChIInChI=1S/C25H35N3O5S/c1-30-20-16-22(31-2)21(23(17-20)32-3)4-5-24(29)28-11-6-18(7-12-28)27-13-8-19(9-14-27)33-25-26-10-15-34-25/h10,15-19H,4-9,11-14H2,1-3H3
InChIKeyFTLGGZFFRJWOTQ-UHFFFAOYSA-N
MW489.64 g/mol
LogP3.64
Rot. Bonds9

About 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one

1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one (PubChem CID 90617741) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one
PubChem CID90617741
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC Name1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(OC)c(CCC(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)c(OC)c1
InChIInChI=1S/C25H35N3O5S/c1-30-20-16-22(31-2)21(23(17-20)32-3)4-5-24(29)28-11-6-18(7-12-28)27-13-8-19(9-14-27)33-25-26-10-15-34-25/h10,15-19H,4-9,11-14H2,1-3H3
InChIKeyFTLGGZFFRJWOTQ-UHFFFAOYSA-N
XLogP3.64
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one 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

2-(3-methylphenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617627
2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617879
2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617869
(3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617839
2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one
CID 90617873
(5-methylpyrazin-2-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617840
2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617825
2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617991
3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide
CID 90617703
[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617689
2-[1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617993
(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617849

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one (CID 90617741) is 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one is COc1cc(OC)c(CCC(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)c(OC)c1.
What is the InChIKey of 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one?
The InChIKey is FTLGGZFFRJWOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-30-20-16-22(31-2)21(23(17-20)32-3)4-5-24(29)28-11-6-18(7-12-28)27-13-8-19(9-14-27)33-25-26-10-15-34-25/h10,15-19H,4-9,11-14H2,1-3H3.
What are the key properties of 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one?
1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one has a molecular weight of 489.64 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 90617741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).