2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

C24H31N3O3S — CID 86897035

IUPAC2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1(CC(=O)N2CCC(Oc3ccccc3)CC2)CCCCC1)Nc1nccs1
InChIInChI=1S/C24H31N3O3S/c28-21(26-23-25-13-16-31-23)17-24(11-5-2-6-12-24)18-22(29)27-14-9-20(10-15-27)30-19-7-3-1-4-8-19/h1,3-4,7-8,13,16,20H,2,5-6,9-12,14-15,17-18H2,(H,25,26,28)
InChIKeyABIAWTPUOVGCJE-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.88
Rot. Bonds7

About 2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 86897035) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID86897035
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1(CC(=O)N2CCC(Oc3ccccc3)CC2)CCCCC1)Nc1nccs1
InChIInChI=1S/C24H31N3O3S/c28-21(26-23-25-13-16-31-23)17-24(11-5-2-6-12-24)18-22(29)27-14-9-20(10-15-27)30-19-7-3-1-4-8-19/h1,3-4,7-8,13,16,20H,2,5-6,9-12,14-15,17-18H2,(H,25,26,28)
InChIKeyABIAWTPUOVGCJE-UHFFFAOYSA-N
XLogP4.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 119488005
2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride
CID 119488004
2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86945653
2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86897087
2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86897078
N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86895877
2-[1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86896978
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86896980
N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 120827381
1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961185
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86897048
benzyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-phenylpiperidine-1-carboxylate
CID 23600701

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (CID 86897035) is 2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1(CC(=O)N2CCC(Oc3ccccc3)CC2)CCCCC1)Nc1nccs1.
What is the InChIKey of 2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ABIAWTPUOVGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c28-21(26-23-25-13-16-31-23)17-24(11-5-2-6-12-24)18-22(29)27-14-9-20(10-15-27)30-19-7-3-1-4-8-19/h1,3-4,7-8,13,16,20H,2,5-6,9-12,14-15,17-18H2,(H,25,26,28).
What are the key properties of 2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 441.60 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86897035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).