tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate

C17H24N2O5S — CID 84554291

IUPACtert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H24N2O5S/c1-17(2,3)24-16(22)19-8-5-6-11(10-19)14(20)18-12-7-9-25-13(12)15(21)23-4/h7,9,11H,5-6,8,10H2,1-4H3,(H,18,20)
InChIKeyYJIHHOJCJRXUAR-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.12
Rot. Bonds3

About tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 84554291) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID84554291
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Nametert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H24N2O5S/c1-17(2,3)24-16(22)19-8-5-6-11(10-19)14(20)18-12-7-9-25-13(12)15(21)23-4/h7,9,11H,5-6,8,10H2,1-4H3,(H,18,20)
InChIKeyYJIHHOJCJRXUAR-UHFFFAOYSA-N
XLogP3.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 51255258
tert-butyl 3-[(2-hydroxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84555372
3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171793
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683
tert-butyl 3-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554272
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 55467468
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 47016276

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate (CID 84554291) is tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate is COC(=O)c1sccc1NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is YJIHHOJCJRXUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-17(2,3)24-16(22)19-8-5-6-11(10-19)14(20)18-12-7-9-25-13(12)15(21)23-4/h7,9,11H,5-6,8,10H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 84554291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).