ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate

C14H20N2O4S — CID 23995478

IUPACethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cscc2OC)CC1
InChIInChI=1S/C14H20N2O4S/c1-3-20-14(18)16-6-4-10(5-7-16)15-13(17)11-8-21-9-12(11)19-2/h8-10H,3-7H2,1-2H3,(H,15,17)
InChIKeyHMVOYBIKRUCKOB-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.11
Rot. Bonds4

About ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 23995478) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID23995478
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Nameethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cscc2OC)CC1
InChIInChI=1S/C14H20N2O4S/c1-3-20-14(18)16-6-4-10(5-7-16)15-13(17)11-8-21-9-12(11)19-2/h8-10H,3-7H2,1-2H3,(H,15,17)
InChIKeyHMVOYBIKRUCKOB-UHFFFAOYSA-N
XLogP2.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
CID 110761607
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 2815508
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carboxylate
CID 59150729
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123792
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
ethyl 4-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 43010715

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate (CID 23995478) is ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cscc2OC)CC1.
What is the InChIKey of ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is HMVOYBIKRUCKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-20-14(18)16-6-4-10(5-7-16)15-13(17)11-8-21-9-12(11)19-2/h8-10H,3-7H2,1-2H3,(H,15,17).
What are the key properties of ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 23995478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).