1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one

C16H22N2O2 — CID 139437746

IUPAC1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
SMILESO=C1CCCCN1C[C@@H](O)CN1Cc2ccccc2C1
InChIInChI=1S/C16H22N2O2/c19-15(12-18-8-4-3-7-16(18)20)11-17-9-13-5-1-2-6-14(13)10-17/h1-2,5-6,15,19H,3-4,7-12H2/t15-/m0/s1
InChIKeyXJDLGJNTIBDUHZ-HNNXBMFYSA-N
MW274.36 g/mol
LogP1.38
Rot. Bonds4

About 1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one

1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one (PubChem CID 139437746) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
PubChem CID139437746
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
SMILESO=C1CCCCN1C[C@@H](O)CN1Cc2ccccc2C1
InChIInChI=1S/C16H22N2O2/c19-15(12-18-8-4-3-7-16(18)20)11-17-9-13-5-1-2-6-14(13)10-17/h1-2,5-6,15,19H,3-4,7-12H2/t15-/m0/s1
InChIKeyXJDLGJNTIBDUHZ-HNNXBMFYSA-N
XLogP1.38
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one?
The IUPAC name of 1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one (CID 139437746) is 1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one.
What is the SMILES notation for 1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one?
The canonical SMILES for 1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one is O=C1CCCCN1C[C@@H](O)CN1Cc2ccccc2C1.
What is the InChIKey of 1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one?
The InChIKey is XJDLGJNTIBDUHZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(12-18-8-4-3-7-16(18)20)11-17-9-13-5-1-2-6-14(13)10-17/h1-2,5-6,15,19H,3-4,7-12H2/t15-/m0/s1.
What are the key properties of 1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one?
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one is sourced from PubChem (CID 139437746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).