methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate

C15H27N3O4 — CID 67598545

IUPACmethyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate
SMILESCOC(=O)COC1CCN(C(=O)C(C)N2CCNCC2)CC1
InChIInChI=1S/C15H27N3O4/c1-12(17-9-5-16-6-10-17)15(20)18-7-3-13(4-8-18)22-11-14(19)21-2/h12-13,16H,3-11H2,1-2H3
InChIKeyXGGWHDWYYDPEAE-UHFFFAOYSA-N
MW313.40 g/mol
LogP-0.54
Rot. Bonds5

About methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate

methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate (PubChem CID 67598545) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate
PubChem CID67598545
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Namemethyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate
SMILESCOC(=O)COC1CCN(C(=O)C(C)N2CCNCC2)CC1
InChIInChI=1S/C15H27N3O4/c1-12(17-9-5-16-6-10-17)15(20)18-7-3-13(4-8-18)22-11-14(19)21-2/h12-13,16H,3-11H2,1-2H3
InChIKeyXGGWHDWYYDPEAE-UHFFFAOYSA-N
XLogP-0.54
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 22880364
CID 22880364
CID 10085401
CID 10085401
CID 18335634
CID 18335634
CID 18925492
CID 18925492
CID 18971570
CID 18971570
CID 19602778
CID 19602778
CID 21835681
CID 21835681
CID 22665771
CID 22665771
CID 22665921
CID 22665921
CID 22880365
CID 22880365
CID 22880368
CID 22880368
CID 54262249
CID 54262249

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate (CID 67598545) is methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate is COC(=O)COC1CCN(C(=O)C(C)N2CCNCC2)CC1.
What is the InChIKey of methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate?
The InChIKey is XGGWHDWYYDPEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-12(17-9-5-16-6-10-17)15(20)18-7-3-13(4-8-18)22-11-14(19)21-2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate?
methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate has a molecular weight of 313.40 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate is sourced from PubChem (CID 67598545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).