methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate

C16H24N2O3S — CID 71867988

IUPACmethyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)NCC(C)Cc2cccs2)CC1
InChIInChI=1S/C16H24N2O3S/c1-12(10-14-4-3-9-22-14)11-17-16(20)18-7-5-13(6-8-18)15(19)21-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,17,20)
InChIKeyZSXHTHFHZJMJLN-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.52
Rot. Bonds5

About methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate

methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate (PubChem CID 71867988) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate
PubChem CID71867988
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Namemethyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)NCC(C)Cc2cccs2)CC1
InChIInChI=1S/C16H24N2O3S/c1-12(10-14-4-3-9-22-14)11-17-16(20)18-7-5-13(6-8-18)15(19)21-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,17,20)
InChIKeyZSXHTHFHZJMJLN-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate (CID 71867988) is methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)NCC(C)Cc2cccs2)CC1.
What is the InChIKey of methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is ZSXHTHFHZJMJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(10-14-4-3-9-22-14)11-17-16(20)18-7-5-13(6-8-18)15(19)21-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,17,20).
What are the key properties of methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate?
methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 71867988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).