(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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Related Compounds

(3S,6R)-1-[(4-fluorophenyl)methyl]-3-methyl-6-(phenylmethoxymethyl)piperazine-2,5-dione
CID 57194490
(3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one
CID 101115524
(3R,6S)-3-(2-methylpropyl)-6-(phenylmethoxymethyl)piperazine-2,5-dione
CID 131931267
(3R,6S)-6-benzyl-1-[(4-methoxyphenyl)methyl]-3-(sulfanylmethyl)piperazine-2,5-dione
CID 10809178
(1S,4R,7R,11S,14R,17R,21S,24R,27R,31S,34R,37R)-2,12,22,32-tetramethyl-4,14,24,34-tetrakis(phenylmethoxymethyl)-2,5,12,15,22,25,32,35-octazapentacyclo[35.3.1.17,11.117,21.127,31]tetratetracontane-3,6,13,16,23,26,33,36-octone
CID 139251260
benzyl (7S,9aR)-6,9-dioxo-7-(phenylmethoxymethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 56858955
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
1-benzyl-5-prop-2-enylimidazolidin-2-one
CID 13351723
methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate
CID 146250811
(1S,4R,7R,11S,14R,17R,21S,24S,27R,31S,34R,37R)-4,24-dibenzyl-2,12,22,32-tetramethyl-14,34-bis(phenylmethoxymethyl)-2,5,12,15,22,25,32,35-octazapentacyclo[35.3.1.17,11.117,21.127,31]tetratetracontane-3,6,13,16,23,26,33,36-octone
CID 139251288
(3S,6S)-6-(4-aminobutyl)-1,3-bis[(4-phenylphenyl)methyl]piperazine-2,5-dione
CID 10346508
(3R,5R,6S)-1-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-3-prop-2-enylpiperazin-2-one
CID 11538939

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).