5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one

C13H24N4O2 — CID 80553088

IUPAC5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESNC1CCN(C2CCN(CC3CNC(=O)O3)C2)CC1
InChIInChI=1S/C13H24N4O2/c14-10-1-5-17(6-2-10)11-3-4-16(8-11)9-12-7-15-13(18)19-12/h10-12H,1-9,14H2,(H,15,18)
InChIKeyVLVBBJPYVDYLJL-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.41
Rot. Bonds3

About 5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one

5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 80553088) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID80553088
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESNC1CCN(C2CCN(CC3CNC(=O)O3)C2)CC1
InChIInChI=1S/C13H24N4O2/c14-10-1-5-17(6-2-10)11-3-4-16(8-11)9-12-7-15-13(18)19-12/h10-12H,1-9,14H2,(H,15,18)
InChIKeyVLVBBJPYVDYLJL-UHFFFAOYSA-N
XLogP-0.41
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 80553088) is 5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one is NC1CCN(C2CCN(CC3CNC(=O)O3)C2)CC1.
What is the InChIKey of 5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is VLVBBJPYVDYLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c14-10-1-5-17(6-2-10)11-3-4-16(8-11)9-12-7-15-13(18)19-12/h10-12H,1-9,14H2,(H,15,18).
What are the key properties of 5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 268.36 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 80553088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).