1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione

C17H22N2O3 — CID 10902727

IUPAC1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1N1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C17H22N2O3/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/h1-3,6-7,15H,4-5,8-13H2/t15-/m0/s1
InChIKeyBOEZBMQYELAIBC-HNNXBMFYSA-N
MW302.37 g/mol
LogP2.12
Rot. Bonds5

About 1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione

1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 10902727) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione
PubChem CID10902727
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1N1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C17H22N2O3/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/h1-3,6-7,15H,4-5,8-13H2/t15-/m0/s1
InChIKeyBOEZBMQYELAIBC-HNNXBMFYSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione (CID 10902727) is 1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione is O=C1CCCC(=O)N1N1CCC[C@H]1COCc1ccccc1.
What is the InChIKey of 1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione?
The InChIKey is BOEZBMQYELAIBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O3/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/h1-3,6-7,15H,4-5,8-13H2/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione?
1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 302.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 10902727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).