(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione

C18H19N3O2 — CID 164687936

IUPAC(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESC[C@@H]1C(=O)N(Cc2ccccc2)CC(=O)N1Cc1ccccn1
InChIInChI=1S/C18H19N3O2/c1-14-18(23)20(11-15-7-3-2-4-8-15)13-17(22)21(14)12-16-9-5-6-10-19-16/h2-10,14H,11-13H2,1H3/t14-/m1/s1
InChIKeyPHJOZZJOZBFAOX-CQSZACIVSA-N
MW309.37 g/mol
LogP1.84
Rot. Bonds4

About (3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione

(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 164687936) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
PubChem CID164687936
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESC[C@@H]1C(=O)N(Cc2ccccc2)CC(=O)N1Cc1ccccn1
InChIInChI=1S/C18H19N3O2/c1-14-18(23)20(11-15-7-3-2-4-8-15)13-17(22)21(14)12-16-9-5-6-10-19-16/h2-10,14H,11-13H2,1H3/t14-/m1/s1
InChIKeyPHJOZZJOZBFAOX-CQSZACIVSA-N
XLogP1.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424938
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 165426572
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3S)-1,4,7-tribenzyl-3-methyl-10-prop-2-ynyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 177116281
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424500
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642
(3S)-1-benzyl-4-[(2,6-difluoro-3-methylphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423919
(3S)-4-[(1-benzylimidazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424252
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione (CID 164687936) is (3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione is C[C@@H]1C(=O)N(Cc2ccccc2)CC(=O)N1Cc1ccccn1.
What is the InChIKey of (3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is PHJOZZJOZBFAOX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14-18(23)20(11-15-7-3-2-4-8-15)13-17(22)21(14)12-16-9-5-6-10-19-16/h2-10,14H,11-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione?
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 309.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 164687936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).