methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate

C17H26N2O5S — CID 175404910

IUPACmethyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(N2CCC(OC)CC2)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O5S/c1-17(2,3)24-16(21)18-13-12(15(20)23-5)10-25-14(13)19-8-6-11(22-4)7-9-19/h10-11H,6-9H2,1-5H3,(H,18,21)
InChIKeyMQHBZZGXRRJNKO-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.50
Rot. Bonds4

About methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate

methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate (PubChem CID 175404910) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate
PubChem CID175404910
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Namemethyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(N2CCC(OC)CC2)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O5S/c1-17(2,3)24-16(21)18-13-12(15(20)23-5)10-25-14(13)19-8-6-11(22-4)7-9-19/h10-11H,6-9H2,1-5H3,(H,18,21)
InChIKeyMQHBZZGXRRJNKO-UHFFFAOYSA-N
XLogP3.50
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 5-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate
CID 162346378
methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
CID 103508852
methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 69368154
tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
CID 19100804
tert-butyl 1-(4-methoxycarbonylphenyl)piperidine-4-carboxylate
CID 146819041
tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
CID 155737680
tert-butyl N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]carbamate;N,N-dimethyl-1-[4-(methylamino)phenyl]piperidin-4-amine
CID 161481622
tert-butyl 4-[1-(4-methoxycarbonyl-3-methylthiophen-2-yl)ethenyl]piperidine-1-carboxylate
CID 121314985
methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-methylsulfonylbenzoate
CID 19377890
tert-butyl 4-[1-(4-methoxycarbonyl-3-methylthiophen-2-yl)prop-1-enyl]piperidine-1-carboxylate
CID 123447566
4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 58718154
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate (CID 175404910) is methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate is COC(=O)c1csc(N2CCC(OC)CC2)c1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate?
The InChIKey is MQHBZZGXRRJNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-17(2,3)24-16(21)18-13-12(15(20)23-5)10-25-14(13)19-8-6-11(22-4)7-9-19/h10-11H,6-9H2,1-5H3,(H,18,21).
What are the key properties of methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate?
methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate has a molecular weight of 370.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate is sourced from PubChem (CID 175404910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).