(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one

C10H19N3O2 — CID 115056721

IUPAC(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(CC2CCCCN2)C(=O)O1
InChIInChI=1S/C10H19N3O2/c11-5-9-7-13(10(14)15-9)6-8-3-1-2-4-12-8/h8-9,12H,1-7,11H2/t8?,9-/m0/s1
InChIKeyYESBZIVXFKSXLK-GKAPJAKFSA-N
MW213.28 g/mol
LogP-0.09
Rot. Bonds3

About (5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 115056721) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID115056721
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(CC2CCCCN2)C(=O)O1
InChIInChI=1S/C10H19N3O2/c11-5-9-7-13(10(14)15-9)6-8-3-1-2-4-12-8/h8-9,12H,1-7,11H2/t8?,9-/m0/s1
InChIKeyYESBZIVXFKSXLK-GKAPJAKFSA-N
XLogP-0.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(piperidin-2-ylmethyl)pyrrolidin-2-one
CID 63104427
1-(piperidin-2-ylmethyl)-4-propylimidazolidin-2-one
CID 116979133
3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one
CID 105482162
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
4-cyclopentyl-3-methyl-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116981839
[(2S)-piperidin-2-yl]methanamine;dihydrochloride
CID 134690845
[(2R)-piperidin-2-yl]methanamine;hydrochloride
CID 70654045
4-(1-methylpyrrolidin-3-yl)-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116979152
1-(piperidin-2-ylmethyl)-4-pyridin-4-ylimidazolidin-2-one
CID 116979146
4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979067
5-(aminomethyl)-3-(2-methylpentyl)-1,3-oxazolidin-2-one
CID 112594234
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(cyclopropylmethyl)acetamide
CID 112594309

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one (CID 115056721) is (5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one is NC[C@H]1CN(CC2CCCCN2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is YESBZIVXFKSXLK-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-5-9-7-13(10(14)15-9)6-8-3-1-2-4-12-8/h8-9,12H,1-7,11H2/t8?,9-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).