(6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione

C22H24N2O3 — CID 138547119

IUPAC(6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione
SMILESC=CC[C@@H]1C(=O)NC(COCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O3/c1-2-9-20-21(25)23-19(16-27-15-18-12-7-4-8-13-18)22(26)24(20)14-17-10-5-3-6-11-17/h2-8,10-13,19-20H,1,9,14-16H2,(H,23,25)/t19?,20-/m1/s1
InChIKeyRSQPINNSDCUPEX-GFOWMXPYSA-N
MW364.44 g/mol
LogP2.68
Rot. Bonds8

About (6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione

(6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione (PubChem CID 138547119) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is (6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione.

Molecular Properties

Compound Name(6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione
PubChem CID138547119
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione
SMILESC=CC[C@@H]1C(=O)NC(COCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O3/c1-2-9-20-21(25)23-19(16-27-15-18-12-7-4-8-13-18)22(26)24(20)14-17-10-5-3-6-11-17/h2-8,10-13,19-20H,1,9,14-16H2,(H,23,25)/t19?,20-/m1/s1
InChIKeyRSQPINNSDCUPEX-GFOWMXPYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione?
The IUPAC name of (6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione (CID 138547119) is (6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione.
What is the SMILES notation for (6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione?
The canonical SMILES for (6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione is C=CC[C@@H]1C(=O)NC(COCc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione?
The InChIKey is RSQPINNSDCUPEX-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-9-20-21(25)23-19(16-27-15-18-12-7-4-8-13-18)22(26)24(20)14-17-10-5-3-6-11-17/h2-8,10-13,19-20H,1,9,14-16H2,(H,23,25)/t19?,20-/m1/s1.
What are the key properties of (6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione?
(6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione has a molecular weight of 364.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione is sourced from PubChem (CID 138547119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).