3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one

C24H31N3O3S — CID 55915816

IUPAC3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1
InChIInChI=1S/C24H31N3O3S/c28-23(10-9-19-5-2-1-3-6-19)26-11-13-27(14-12-26)24(29)20-7-4-8-22(15-20)30-16-21-17-31-18-25-21/h4,7-8,15,17-19H,1-3,5-6,9-14,16H2
InChIKeyNXDZUHWNMXSGAX-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.37
Rot. Bonds7

About 3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one (PubChem CID 55915816) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
PubChem CID55915816
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1
InChIInChI=1S/C24H31N3O3S/c28-23(10-9-19-5-2-1-3-6-19)26-11-13-27(14-12-26)24(29)20-7-4-8-22(15-20)30-16-21-17-31-18-25-21/h4,7-8,15,17-19H,1-3,5-6,9-14,16H2
InChIKeyNXDZUHWNMXSGAX-UHFFFAOYSA-N
XLogP4.37
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
[3-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108533244
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 55970553
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347743
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 86905301
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
CID 58347663
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 30854834
(3R)-3-methyl-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124695731
3-[4-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]phenyl]propanoic acid
CID 58347545
3-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]pyrazine-2-carboxylic acid
CID 58347948

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one (CID 55915816) is 3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one is O=C(CCC1CCCCC1)N1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1.
What is the InChIKey of 3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one?
The InChIKey is NXDZUHWNMXSGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c28-23(10-9-19-5-2-1-3-6-19)26-11-13-27(14-12-26)24(29)20-7-4-8-22(15-20)30-16-21-17-31-18-25-21/h4,7-8,15,17-19H,1-3,5-6,9-14,16H2.
What are the key properties of 3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one has a molecular weight of 441.60 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55915816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).