bis[(3R)-1-methylpiperidin-3-yl] pentanedioate

C17H30N2O4 — CID 6363199

IUPACbis[(3R)-1-methylpiperidin-3-yl] pentanedioate
SMILESCN1CCC[C@@H](OC(=O)CCCC(=O)O[C@@H]2CCCN(C)C2)C1
InChIInChI=1S/C17H30N2O4/c1-18-10-4-6-14(12-18)22-16(20)8-3-9-17(21)23-15-7-5-11-19(2)13-15/h14-15H,3-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyLFJFSARQBHGXIU-HUUCEWRRSA-N
MW326.44 g/mol
LogP1.43
Rot. Bonds6

About bis[(3R)-1-methylpiperidin-3-yl] pentanedioate

bis[(3R)-1-methylpiperidin-3-yl] pentanedioate (PubChem CID 6363199) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is bis[(3R)-1-methylpiperidin-3-yl] pentanedioate.

Molecular Properties

Compound Namebis[(3R)-1-methylpiperidin-3-yl] pentanedioate
PubChem CID6363199
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Namebis[(3R)-1-methylpiperidin-3-yl] pentanedioate
SMILESCN1CCC[C@@H](OC(=O)CCCC(=O)O[C@@H]2CCCN(C)C2)C1
InChIInChI=1S/C17H30N2O4/c1-18-10-4-6-14(12-18)22-16(20)8-3-9-17(21)23-15-7-5-11-19(2)13-15/h14-15H,3-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyLFJFSARQBHGXIU-HUUCEWRRSA-N
XLogP1.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis[(3R)-1-methylpiperidin-3-yl] pentanedioate?
The IUPAC name of bis[(3R)-1-methylpiperidin-3-yl] pentanedioate (CID 6363199) is bis[(3R)-1-methylpiperidin-3-yl] pentanedioate.
What is the SMILES notation for bis[(3R)-1-methylpiperidin-3-yl] pentanedioate?
The canonical SMILES for bis[(3R)-1-methylpiperidin-3-yl] pentanedioate is CN1CCC[C@@H](OC(=O)CCCC(=O)O[C@@H]2CCCN(C)C2)C1.
What is the InChIKey of bis[(3R)-1-methylpiperidin-3-yl] pentanedioate?
The InChIKey is LFJFSARQBHGXIU-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-18-10-4-6-14(12-18)22-16(20)8-3-9-17(21)23-15-7-5-11-19(2)13-15/h14-15H,3-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of bis[(3R)-1-methylpiperidin-3-yl] pentanedioate?
bis[(3R)-1-methylpiperidin-3-yl] pentanedioate has a molecular weight of 326.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3R)-1-methylpiperidin-3-yl] pentanedioate is sourced from PubChem (CID 6363199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).