ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate

C16H24N2O3S — CID 42884527

IUPACethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NC(C)c2cccs2)CC1
InChIInChI=1S/C16H24N2O3S/c1-3-21-16(20)13-6-8-18(9-7-13)11-15(19)17-12(2)14-5-4-10-22-14/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,17,19)
InChIKeyJNBRDFBXMWCEJK-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.20
Rot. Bonds6

About ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate

ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate (PubChem CID 42884527) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
PubChem CID42884527
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nameethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NC(C)c2cccs2)CC1
InChIInChI=1S/C16H24N2O3S/c1-3-21-16(20)13-6-8-18(9-7-13)11-15(19)17-12(2)14-5-4-10-22-14/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,17,19)
InChIKeyJNBRDFBXMWCEJK-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 80546360
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 115647928
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16566117
ethyl 1-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 51170749
ethyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931323
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741
ethyl 1-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8772914
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 146124572

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate (CID 42884527) is ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)NC(C)c2cccs2)CC1.
What is the InChIKey of ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate?
The InChIKey is JNBRDFBXMWCEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-21-16(20)13-6-8-18(9-7-13)11-15(19)17-12(2)14-5-4-10-22-14/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 42884527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).