tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate

C17H25NO4S — CID 86702006

IUPACtert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C17H25NO4S/c1-5-21-15(19)14-7-6-13(23-14)12-8-10-18(11-9-12)16(20)22-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3
InChIKeyQYMHCOJOFFQUBF-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.04
Rot. Bonds3

About tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate (PubChem CID 86702006) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
PubChem CID86702006
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Nametert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C17H25NO4S/c1-5-21-15(19)14-7-6-13(23-14)12-8-10-18(11-9-12)16(20)22-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3
InChIKeyQYMHCOJOFFQUBF-UHFFFAOYSA-N
XLogP4.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate
CID 178075956
tert-butyl 4-(5-chloro-3-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
CID 178075880
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-ethoxy-3-oxopropyl]piperidine-1-carboxylate
CID 137373257
ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-benzimidazole-2-carboxylate
CID 118998293
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 177168423
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
tert-butyl 4-[4-[(4-ethoxycarbonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 25026904
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-4-methylpentyl]piperidine-1-carboxylate
CID 137373033
ethyl 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidin-4-yl]-4-propan-2-yl-1,3-thiazole-5-carboxylate
CID 54072537
tert-butyl 4-[4-(2-oxopropyl)phenyl]piperidine-1-carboxylate
CID 89449291
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate (CID 86702006) is tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate is CCOC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate?
The InChIKey is QYMHCOJOFFQUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-5-21-15(19)14-7-6-13(23-14)12-8-10-18(11-9-12)16(20)22-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate has a molecular weight of 339.46 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 86702006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).