ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate

C14H19NO3S — CID 670001

IUPACethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H19NO3S/c1-2-18-14(17)11-5-7-15(8-6-11)13(16)10-12-4-3-9-19-12/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyYWUSFSDLDXNEKF-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.09
Rot. Bonds4

About ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate

ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate (PubChem CID 670001) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate
PubChem CID670001
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Nameethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H19NO3S/c1-2-18-14(17)11-5-7-15(8-6-11)13(16)10-12-4-3-9-19-12/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyYWUSFSDLDXNEKF-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate
CID 2326411
Ethyl 1-(2-thienylcarbonyl)-4-piperidinecarboxylate
CID 728491
Morpholine, 4-(2-thienylacetyl)-
CID 531781
Ethyl 1-[(phenylthio)acetyl]-4-piperidinecarboxylate
CID 807612
Methyl 1-[(phenylthio)acetyl]-4-piperidinecarboxylate
CID 2914521
Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 762661
ethyl 1-[(E)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enoyl]piperidine-4-carboxylate
CID 2338616
N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-2-(2-thienyl)acetamide
CID 45202291
1-[3-(2-Methylpropyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 72042474
methyl (3R,4R)-1-methyl-3-thiophen-2-ylpiperidine-4-carboxylate
CID 90679944
methyl (3R,4S)-1-methyl-3-thiophen-2-ylpiperidine-4-carboxylate
CID 90679945
N-Methyl-N-[(oxan-4-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91914991

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate (CID 670001) is ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate?
The InChIKey is YWUSFSDLDXNEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-18-14(17)11-5-7-15(8-6-11)13(16)10-12-4-3-9-19-12/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate?
ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 670001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).