methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate

C22H26N2O5S — CID 55633003

IUPACmethyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C22H26N2O5S/c1-28-21(26)14-18(19-8-5-13-30-19)23-22(27)16-9-11-24(12-10-16)20(25)15-29-17-6-3-2-4-7-17/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,23,27)
InChIKeyWADYEYFWBHSNRP-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.79
Rot. Bonds8

About methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate

methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 55633003) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
PubChem CID55633003
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Namemethyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C22H26N2O5S/c1-28-21(26)14-18(19-8-5-13-30-19)23-22(27)16-9-11-24(12-10-16)20(25)15-29-17-6-3-2-4-7-17/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,23,27)
InChIKeyWADYEYFWBHSNRP-UHFFFAOYSA-N
XLogP2.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate with MolForge

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Related Compounds

methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 46493250
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394361
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66009978
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 86917257
2-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349425

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate (CID 55633003) is methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cccs1.
What is the InChIKey of methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
The InChIKey is WADYEYFWBHSNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-28-21(26)14-18(19-8-5-13-30-19)23-22(27)16-9-11-24(12-10-16)20(25)15-29-17-6-3-2-4-7-17/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,23,27).
What are the key properties of methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 430.53 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 55633003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).