6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one

C17H24N2O3 — CID 134877097

IUPAC6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one
SMILESO=C1CCCC(O)N1N1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16-9-4-10-17(21)19(16)18-11-5-8-15(18)13-22-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2/t15-,16?/m0/s1
InChIKeyMTOBKROJOXHKDZ-VYRBHSGPSA-N
MW304.39 g/mol
LogP1.91
Rot. Bonds5

About 6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one

6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 134877097) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID134877097
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one
SMILESO=C1CCCC(O)N1N1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16-9-4-10-17(21)19(16)18-11-5-8-15(18)13-22-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2/t15-,16?/m0/s1
InChIKeyMTOBKROJOXHKDZ-VYRBHSGPSA-N
XLogP1.91
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one (CID 134877097) is 6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one is O=C1CCCC(O)N1N1CCC[C@H]1COCc1ccccc1.
What is the InChIKey of 6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is MTOBKROJOXHKDZ-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16-9-4-10-17(21)19(16)18-11-5-8-15(18)13-22-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2/t15-,16?/m0/s1.
What are the key properties of 6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 134877097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).