ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate

C13H18N2O3S — CID 2815503

IUPACethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-2-18-13(17)15-7-5-10(6-8-15)14-12(16)11-4-3-9-19-11/h3-4,9-10H,2,5-8H2,1H3,(H,14,16)
InChIKeyXQRFYDUHINWZGH-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.10
Rot. Bonds3

About ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate

ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 2815503) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate
PubChem CID2815503
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Nameethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-2-18-13(17)15-7-5-10(6-8-15)14-12(16)11-4-3-9-19-11/h3-4,9-10H,2,5-8H2,1H3,(H,14,16)
InChIKeyXQRFYDUHINWZGH-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
N-cyclohexylthiophene-2-carboxamide
CID 855035
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
Thiophene-2-carboxylic acid, morpholide
CID 531921
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
N-(3-methoxypropyl)thiophene-2-carboxamide
CID 2057652
N-cycloheptylthiophene-2-carboxamide
CID 2057917
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2292963

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate (CID 2815503) is ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is XQRFYDUHINWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-18-13(17)15-7-5-10(6-8-15)14-12(16)11-4-3-9-19-11/h3-4,9-10H,2,5-8H2,1H3,(H,14,16).
What are the key properties of ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(thiophene-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 2815503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).