methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate

C17H21NO6S — CID 55318575

IUPACmethyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)CCC(=O)c2cccs2)CC1
InChIInChI=1S/C17H21NO6S/c1-23-17(22)12-6-8-18(9-7-12)15(20)11-24-16(21)5-4-13(19)14-3-2-10-25-14/h2-3,10,12H,4-9,11H2,1H3
InChIKeyRRLHNYDAYLCGKV-UHFFFAOYSA-N
MW367.42 g/mol
LogP1.67
Rot. Bonds7

About methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate

methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 55318575) has the molecular formula C17H21NO6S and a molecular weight of 367.42 g/mol. Its IUPAC name is methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID55318575
Molecular FormulaC17H21NO6S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Namemethyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)CCC(=O)c2cccs2)CC1
InChIInChI=1S/C17H21NO6S/c1-23-17(22)12-6-8-18(9-7-12)15(20)11-24-16(21)5-4-13(19)14-3-2-10-25-14/h2-3,10,12H,4-9,11H2,1H3
InChIKeyRRLHNYDAYLCGKV-UHFFFAOYSA-N
XLogP1.67
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2391512
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
methyl 4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxylate
CID 110346802
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 26026073
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2419996
2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394378
methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate
CID 55506189
methyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-4-carboxylate
CID 7795692
methyl 1-[2-(1-benzothiophene-2-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 7887288
methyl 1-[2-[2-[(3-bromobenzoyl)amino]acetyl]oxyacetyl]piperidine-4-carboxylate
CID 46791831
1-[(3R)-3-aminopyrrolidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119409157

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate (CID 55318575) is methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)CCC(=O)c2cccs2)CC1.
What is the InChIKey of methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is RRLHNYDAYLCGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6S/c1-23-17(22)12-6-8-18(9-7-12)15(20)11-24-16(21)5-4-13(19)14-3-2-10-25-14/h2-3,10,12H,4-9,11H2,1H3.
What are the key properties of methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate?
methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 367.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55318575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).