ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate

C13H16Cl2N2O3S — CID 2815508

IUPACethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O3S/c1-2-20-13(19)17-5-3-8(4-6-17)16-12(18)9-7-10(14)21-11(9)15/h7-8H,2-6H2,1H3,(H,16,18)
InChIKeyVCJHMRSMMYGWJU-UHFFFAOYSA-N
MW351.26 g/mol
LogP3.41
Rot. Bonds3

About ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 2815508) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID2815508
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Nameethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O3S/c1-2-20-13(19)17-5-3-8(4-6-17)16-12(18)9-7-10(14)21-11(9)15/h7-8H,2-6H2,1H3,(H,16,18)
InChIKeyVCJHMRSMMYGWJU-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
CID 110761607
ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 23995478
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 43010715
2,5-dichloro-N-ethoxythiophene-3-carboxamide
CID 47129266
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 48590358
ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate
CID 24644251
ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 113204728
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate (CID 2815508) is ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is VCJHMRSMMYGWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c1-2-20-13(19)17-5-3-8(4-6-17)16-12(18)9-7-10(14)21-11(9)15/h7-8H,2-6H2,1H3,(H,16,18).
What are the key properties of ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 351.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 2815508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).