3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one

C12H20N2O2 — CID 105482162

IUPAC3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one
SMILESO=C1OC2CCCC2N1CC1CCCCN1
InChIInChI=1S/C12H20N2O2/c15-12-14(8-9-4-1-2-7-13-9)10-5-3-6-11(10)16-12/h9-11,13H,1-8H2
InChIKeyYFPKXHMUZWLDKZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.50
Rot. Bonds2

About 3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one

3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one (PubChem CID 105482162) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one.

Molecular Properties

Compound Name3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one
PubChem CID105482162
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one
SMILESO=C1OC2CCCC2N1CC1CCCCN1
InChIInChI=1S/C12H20N2O2/c15-12-14(8-9-4-1-2-7-13-9)10-5-3-6-11(10)16-12/h9-11,13H,1-8H2
InChIKeyYFPKXHMUZWLDKZ-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320906
(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
CID 115056721
1-(piperidin-2-ylmethyl)pyrrolidin-3-one
CID 115016246
4-cyclopentyl-3-methyl-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116981839
5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 84727120
1-(piperidin-2-ylmethyl)pyrazolidin-3-one
CID 105440737
5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66329320
7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
CID 131123539
(2S,6R)-2,6-dimethyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141709
1-[[(2S)-pyrrolidin-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 104870161
2-cyclopentyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819466

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one?
The IUPAC name of 3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one (CID 105482162) is 3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one.
What is the SMILES notation for 3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one?
The canonical SMILES for 3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one is O=C1OC2CCCC2N1CC1CCCCN1.
What is the InChIKey of 3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one?
The InChIKey is YFPKXHMUZWLDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12-14(8-9-4-1-2-7-13-9)10-5-3-6-11(10)16-12/h9-11,13H,1-8H2.
What are the key properties of 3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one?
3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one is sourced from PubChem (CID 105482162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).