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

C15H21NO3S — CID 61340323

IUPACethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2sccc2CC)C1
InChIInChI=1S/C15H21NO3S/c1-3-11-7-9-20-13(11)14(17)16-8-5-6-12(10-16)15(18)19-4-2/h7,9,12H,3-6,8,10H2,1-2H3
InChIKeyKALGGHBDDIVZIC-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.73
Rot. Bonds4

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

ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate (PubChem CID 61340323) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
PubChem CID61340323
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Nameethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2sccc2CC)C1
InChIInChI=1S/C15H21NO3S/c1-3-11-7-9-20-13(11)14(17)16-8-5-6-12(10-16)15(18)19-4-2/h7,9,12H,3-6,8,10H2,1-2H3
InChIKeyKALGGHBDDIVZIC-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

ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
ethyl (3S)-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidine-3-carboxylate
CID 94117127
(3-chloropiperidin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79974966
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 63252612
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482336
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
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-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate
CID 46113474
ethyl (3R)-1-[2-[bis(3-ethylthiophen-2-yl)methylideneamino]oxyethyl]piperidine-3-carboxylate
CID 10838603

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate (CID 61340323) is ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2sccc2CC)C1.
What is the InChIKey of ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is KALGGHBDDIVZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-11-7-9-20-13(11)14(17)16-8-5-6-12(10-16)15(18)19-4-2/h7,9,12H,3-6,8,10H2,1-2H3.
What are the key properties of ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate?
ethyl 1-(3-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-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 61340323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).