ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate

C16H23NO3S — CID 110698415

IUPACethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(C)(C)c2cccs2)C1
InChIInChI=1S/C16H23NO3S/c1-4-20-14(18)12-7-5-9-17(11-12)15(19)16(2,3)13-8-6-10-21-13/h6,8,10,12H,4-5,7,9,11H2,1-3H3
InChIKeyCHZHPUHLDWUCSC-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.83
Rot. Bonds4

About ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate

ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate (PubChem CID 110698415) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate
PubChem CID110698415
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Nameethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(C)(C)c2cccs2)C1
InChIInChI=1S/C16H23NO3S/c1-4-20-14(18)12-7-5-9-17(11-12)15(19)16(2,3)13-8-6-10-21-13/h6,8,10,12H,4-5,7,9,11H2,1-3H3
InChIKeyCHZHPUHLDWUCSC-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
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ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
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ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
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ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
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ethyl 1-[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]piperidine-3-carboxylate
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ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
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CID 81345354

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate (CID 110698415) is ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C(C)(C)c2cccs2)C1.
What is the InChIKey of ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate?
The InChIKey is CHZHPUHLDWUCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-20-14(18)12-7-5-9-17(11-12)15(19)16(2,3)13-8-6-10-21-13/h6,8,10,12H,4-5,7,9,11H2,1-3H3.
What are the key properties of ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate?
ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 110698415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).