3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione

C9H14N2O3 — CID 99737469

IUPAC3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1C[C@@H]1CCCCN1
InChIInChI=1S/C9H14N2O3/c12-8-6-14-9(13)11(8)5-7-3-1-2-4-10-7/h7,10H,1-6H2/t7-/m0/s1
InChIKeyCFAKQGVXDVIHMK-ZETCQYMHSA-N
MW198.22 g/mol
LogP0.11
Rot. Bonds2

About 3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 99737469) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID99737469
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1C[C@@H]1CCCCN1
InChIInChI=1S/C9H14N2O3/c12-8-6-14-9(13)11(8)5-7-3-1-2-4-10-7/h7,10H,1-6H2/t7-/m0/s1
InChIKeyCFAKQGVXDVIHMK-ZETCQYMHSA-N
XLogP0.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 115209200
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
CID 61348095
2-(piperidin-2-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437191
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one
CID 105482162
3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 53381836
4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
CID 62930379
1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 117030559
3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86262251
8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 62540613
(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
CID 115056721
6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one
CID 105482203

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 99737469) is 3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1C[C@@H]1CCCCN1.
What is the InChIKey of 3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is CFAKQGVXDVIHMK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8-6-14-9(13)11(8)5-7-3-1-2-4-10-7/h7,10H,1-6H2/t7-/m0/s1.
What are the key properties of 3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 99737469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).