cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate

C23H29N3O4S — CID 67644124

IUPACcyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate
SMILESNC(=O)c1nc(C2CCNCC2)sc1-c1ccc(OCC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C23H29N3O4S/c24-22(28)20-21(31-23(26-20)16-10-12-25-13-11-16)15-6-8-17(9-7-15)29-14-19(27)30-18-4-2-1-3-5-18/h6-9,16,18,25H,1-5,10-14H2,(H2,24,28)
InChIKeyMAUAJTXEWRHBIQ-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.63
Rot. Bonds7

About cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate

cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate (PubChem CID 67644124) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate
PubChem CID67644124
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Namecyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate
SMILESNC(=O)c1nc(C2CCNCC2)sc1-c1ccc(OCC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C23H29N3O4S/c24-22(28)20-21(31-23(26-20)16-10-12-25-13-11-16)15-6-8-17(9-7-15)29-14-19(27)30-18-4-2-1-3-5-18/h6-9,16,18,25H,1-5,10-14H2,(H2,24,28)
InChIKeyMAUAJTXEWRHBIQ-UHFFFAOYSA-N
XLogP3.63
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate?
The IUPAC name of cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate (CID 67644124) is cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate.
What is the SMILES notation for cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate?
The canonical SMILES for cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate is NC(=O)c1nc(C2CCNCC2)sc1-c1ccc(OCC(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate?
The InChIKey is MAUAJTXEWRHBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c24-22(28)20-21(31-23(26-20)16-10-12-25-13-11-16)15-6-8-17(9-7-15)29-14-19(27)30-18-4-2-1-3-5-18/h6-9,16,18,25H,1-5,10-14H2,(H2,24,28).
What are the key properties of cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate?
cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate has a molecular weight of 443.57 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate is sourced from PubChem (CID 67644124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).