2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one

C21H35N3O2S — CID 90617873

IUPAC2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one
SMILESCCCC(CCC)C(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C21H35N3O2S/c1-3-5-17(6-4-2)20(25)24-12-7-18(8-13-24)23-14-9-19(10-15-23)26-21-22-11-16-27-21/h11,16-19H,3-10,12-15H2,1-2H3
InChIKeyWCPDXOTVUAGTEX-UHFFFAOYSA-N
MW393.60 g/mol
LogP4.19
Rot. Bonds8

About 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one

2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one (PubChem CID 90617873) has the molecular formula C21H35N3O2S and a molecular weight of 393.60 g/mol. Its IUPAC name is 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one
PubChem CID90617873
Molecular FormulaC21H35N3O2S
Molecular Weight393.60 g/mol
Exact Mass393.24
IUPAC Name2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one
SMILESCCCC(CCC)C(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C21H35N3O2S/c1-3-5-17(6-4-2)20(25)24-12-7-18(8-13-24)23-14-9-19(10-15-23)26-21-22-11-16-27-21/h11,16-19H,3-10,12-15H2,1-2H3
InChIKeyWCPDXOTVUAGTEX-UHFFFAOYSA-N
XLogP4.19
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one with MolForge

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Related Compounds

2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90618011
(3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617839
2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617879
(5-methylpyrazin-2-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617840
[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617689
(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617849
2-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90617931
2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90617934
(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617593
2-(3-methylphenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617627
4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 90617599
1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one
CID 90617741

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one (CID 90617873) is 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one is CCCC(CCC)C(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
The InChIKey is WCPDXOTVUAGTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2S/c1-3-5-17(6-4-2)20(25)24-12-7-18(8-13-24)23-14-9-19(10-15-23)26-21-22-11-16-27-21/h11,16-19H,3-10,12-15H2,1-2H3.
What are the key properties of 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one has a molecular weight of 393.60 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 90617873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).