ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate

C13H16ClNO3S — CID 2813095

IUPACethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2sccc2Cl)CC1
InChIInChI=1S/C13H16ClNO3S/c1-2-18-13(17)9-3-6-15(7-4-9)12(16)11-10(14)5-8-19-11/h5,8-9H,2-4,6-7H2,1H3
InChIKeySNSFMSPEOBEHJS-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.82
Rot. Bonds3

About ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 2813095) has the molecular formula C13H16ClNO3S and a molecular weight of 301.79 g/mol. Its IUPAC name is ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate
PubChem CID2813095
Molecular FormulaC13H16ClNO3S
Molecular Weight301.79 g/mol
Exact Mass301.05
IUPAC Nameethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2sccc2Cl)CC1
InChIInChI=1S/C13H16ClNO3S/c1-2-18-13(17)9-3-6-15(7-4-9)12(16)11-10(14)5-8-19-11/h5,8-9H,2-4,6-7H2,1H3
InChIKeySNSFMSPEOBEHJS-UHFFFAOYSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate
CID 2326411
Ethyl 1-(2-thienylcarbonyl)-4-piperidinecarboxylate
CID 728491
5-Chloro-N-methyl-N-[(4-methyloxan-4-YL)methyl]thiophene-2-carboxamide
CID 110875721
N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
CID 110875708
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 110875873
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid
CID 760311
(5-Chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150860
[4-(2-Methoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150894
N-Methyl-N-[(oxan-4-YL)methyl]thiophene-2-carboxamide
CID 64591542
5-Chloro-N-methyl-N-[(oxan-4-YL)methyl]thiophene-2-carboxamide
CID 91915002
3-Chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-YL)methyl]thiophene-2-carboxamide
CID 86284656
3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide
CID 124733721

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate (CID 2813095) is ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2sccc2Cl)CC1.
What is the InChIKey of ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is SNSFMSPEOBEHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c1-2-18-13(17)9-3-6-15(7-4-9)12(16)11-10(14)5-8-19-11/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 301.79 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 2813095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).