(4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one

C12H22N2O2 — CID 102227097

IUPAC(4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@@H]1NC(=O)O[C@H]1CN1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-2-6-10-11(16-12(15)13-10)9-14-7-4-3-5-8-14/h10-11H,2-9H2,1H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyLDELTENHPNMSCH-QWRGUYRKSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds4

About (4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one

(4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one (PubChem CID 102227097) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one
PubChem CID102227097
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@@H]1NC(=O)O[C@H]1CN1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-2-6-10-11(16-12(15)13-10)9-14-7-4-3-5-8-14/h10-11H,2-9H2,1H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyLDELTENHPNMSCH-QWRGUYRKSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one (CID 102227097) is (4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one is CCC[C@@H]1NC(=O)O[C@H]1CN1CCCCC1.
What is the InChIKey of (4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one?
The InChIKey is LDELTENHPNMSCH-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-6-10-11(16-12(15)13-10)9-14-7-4-3-5-8-14/h10-11H,2-9H2,1H3,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one?
(4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102227097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).