methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate

C16H24N2O4S — CID 68579832

IUPACmethyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)22-15(20)17-11-7-9-18(10-8-11)13-6-5-12(23-13)14(19)21-4/h5-6,11H,7-10H2,1-4H3,(H,17,20)
InChIKeyXPMXEZSQVKWFPH-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.03
Rot. Bonds3

About methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate

methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate (PubChem CID 68579832) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate
PubChem CID68579832
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Namemethyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)22-15(20)17-11-7-9-18(10-8-11)13-6-5-12(23-13)14(19)21-4/h5-6,11H,7-10H2,1-4H3,(H,17,20)
InChIKeyXPMXEZSQVKWFPH-UHFFFAOYSA-N
XLogP3.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate with MolForge

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Related Compounds

Ethyl 5-(piperazin-1-yl)thiophene-2-carboxylate
CID 119025557
Methyl 5-(piperazin-1-yl)thiophene-2-carboxylate hydrochloride
CID 122236466
Di-tert-butyl 1-(5-(methoxycarbonyl)thiophen-2-yl)hydrazine-1,2-dicarboxylate
CID 57336839
Ethyl 5-(cyclohexylamino)thiophene-2-carboxylate
CID 134304249
Tert-butyl 4-(4-fluoro-5-methoxycarbonylthiophen-2-yl)-2-methylpiperazine-1-carboxylate
CID 168725219
3-Fluoro-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]thiophene-2-carboxylic acid
CID 168725257
5-[(tert-Butyloxycarbonyl)amino]thiophene-2-carboxylic acid ethyl ester
CID 21585764
Methyl 3-(methoxycarbonylamino)-5-piperidin-1-ylthiophene-2-carboxylate
CID 176429226
2,2,2-Trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate
CID 24587007
Methyl 5-(piperazin-1-yl)thiophene-2-carboxylate
CID 122236467
3-(1-Tert-butyloxycarbonylpiperidin-4-ylamino)-2-methoxycarbonylthiophene
CID 22914655
Tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate
CID 25071103

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate (CID 68579832) is methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate is COC(=O)c1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate?
The InChIKey is XPMXEZSQVKWFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(20)17-11-7-9-18(10-8-11)13-6-5-12(23-13)14(19)21-4/h5-6,11H,7-10H2,1-4H3,(H,17,20).
What are the key properties of methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate?
methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]thiophene-2-carboxylate is sourced from PubChem (CID 68579832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).