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

C17H25N3O4S — CID 46493250

IUPACmethyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1cccs1
InChIInChI=1S/C17H25N3O4S/c1-19(2)17(23)20-8-6-12(7-9-20)16(22)18-13(11-15(21)24-3)14-5-4-10-25-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyRNKZPUYQCROGJP-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.86
Rot. Bonds5

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

methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 46493250) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
PubChem CID46493250
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Namemethyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1cccs1
InChIInChI=1S/C17H25N3O4S/c1-19(2)17(23)20-8-6-12(7-9-20)16(22)18-13(11-15(21)24-3)14-5-4-10-25-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyRNKZPUYQCROGJP-UHFFFAOYSA-N
XLogP1.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 55633003
methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66009978
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 86917257
N,N-dimethyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxamide
CID 83261830
methyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-thiophen-2-ylpropanoate
CID 46534361
methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709882
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839
methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725040
methyl 3-[(4-methylpyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 63714612
methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 62657315

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate (CID 46493250) is methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1cccs1.
What is the InChIKey of methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
The InChIKey is RNKZPUYQCROGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-19(2)17(23)20-8-6-12(7-9-20)16(22)18-13(11-15(21)24-3)14-5-4-10-25-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,18,22).
What are the key properties of methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 367.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 46493250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).