ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate

C15H21NO3S — CID 43409448

IUPACethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(CC)s2)C1
InChIInChI=1S/C15H21NO3S/c1-3-12-7-8-13(20-12)14(17)16-9-5-6-11(10-16)15(18)19-4-2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyTZEKDBRZKRVRLM-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.73
Rot. Bonds4

About ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate

ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate (PubChem CID 43409448) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
PubChem CID43409448
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Nameethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(CC)s2)C1
InChIInChI=1S/C15H21NO3S/c1-3-12-7-8-13(20-12)14(17)16-9-5-6-11(10-16)15(18)19-4-2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyTZEKDBRZKRVRLM-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-3-carboxylate
CID 25163445
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 90510988
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate (CID 43409448) is ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc(CC)s2)C1.
What is the InChIKey of ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is TZEKDBRZKRVRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-12-7-8-13(20-12)14(17)16-9-5-6-11(10-16)15(18)19-4-2/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate?
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 43409448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).