(1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate

C14H20ClNO2S — CID 55771779

IUPAC(1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate
SMILESCCN1CCCC(OC(=O)CCc2ccc(Cl)s2)C1
InChIInChI=1S/C14H20ClNO2S/c1-2-16-9-3-4-11(10-16)18-14(17)8-6-12-5-7-13(15)19-12/h5,7,11H,2-4,6,8-10H2,1H3
InChIKeyPEOJMHRVJUAGBY-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.36
Rot. Bonds5

About (1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate

(1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate (PubChem CID 55771779) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is (1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate.

Molecular Properties

Compound Name(1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate
PubChem CID55771779
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name(1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate
SMILESCCN1CCCC(OC(=O)CCc2ccc(Cl)s2)C1
InChIInChI=1S/C14H20ClNO2S/c1-2-16-9-3-4-11(10-16)18-14(17)8-6-12-5-7-13(15)19-12/h5,7,11H,2-4,6,8-10H2,1H3
InChIKeyPEOJMHRVJUAGBY-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate
CID 56803396
[(3S)-1-benzylpiperidin-3-yl] butanoate
CID 132566601
(1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate
CID 119040499
ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63844771
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642
(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
CID 67518430
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119435553
1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one
CID 60559847
(1-ethylpiperidin-3-yl) N,N-dimethylcarbamate
CID 45091641
(1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 55755698
(2R)-1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 75499802

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate?
The IUPAC name of (1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate (CID 55771779) is (1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate.
What is the SMILES notation for (1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate?
The canonical SMILES for (1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate is CCN1CCCC(OC(=O)CCc2ccc(Cl)s2)C1.
What is the InChIKey of (1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate?
The InChIKey is PEOJMHRVJUAGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-2-16-9-3-4-11(10-16)18-14(17)8-6-12-5-7-13(15)19-12/h5,7,11H,2-4,6,8-10H2,1H3.
What are the key properties of (1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate?
(1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate has a molecular weight of 301.84 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate is sourced from PubChem (CID 55771779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).