(1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate

C15H24N2O2 — CID 90672124

IUPAC(1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate
SMILESCc1c(C(=O)OC2CCN(C)CC2)c(C)n(C)c1C
InChIInChI=1S/C15H24N2O2/c1-10-11(2)17(5)12(3)14(10)15(18)19-13-6-8-16(4)9-7-13/h13H,6-9H2,1-5H3
InChIKeyDGOFOBROPGSAGI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.20
Rot. Bonds2

About (1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate

(1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate (PubChem CID 90672124) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate
PubChem CID90672124
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate
SMILESCc1c(C(=O)OC2CCN(C)CC2)c(C)n(C)c1C
InChIInChI=1S/C15H24N2O2/c1-10-11(2)17(5)12(3)14(10)15(18)19-13-6-8-16(4)9-7-13/h13H,6-9H2,1-5H3
InChIKeyDGOFOBROPGSAGI-UHFFFAOYSA-N
XLogP2.20
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate (CID 90672124) is (1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate is Cc1c(C(=O)OC2CCN(C)CC2)c(C)n(C)c1C.
What is the InChIKey of (1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate?
The InChIKey is DGOFOBROPGSAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-11(2)17(5)12(3)14(10)15(18)19-13-6-8-16(4)9-7-13/h13H,6-9H2,1-5H3.
What are the key properties of (1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate?
(1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 1,2,4,5-tetramethylpyrrole-3-carboxylate is sourced from PubChem (CID 90672124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).