(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione

C15H21N3O2 — CID 165421687

IUPAC(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cccc(C)n2)[C@H](C)C1=O
InChIInChI=1S/C15H21N3O2/c1-4-8-17-10-14(19)18(12(3)15(17)20)9-13-7-5-6-11(2)16-13/h5-7,12H,4,8-10H2,1-3H3/t12-/m1/s1
InChIKeyXWIUFZVAWRJAEU-GFCCVEGCSA-N
MW275.35 g/mol
LogP1.36
Rot. Bonds4

About (3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione

(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione (PubChem CID 165421687) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione
PubChem CID165421687
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cccc(C)n2)[C@H](C)C1=O
InChIInChI=1S/C15H21N3O2/c1-4-8-17-10-14(19)18(12(3)15(17)20)9-13-7-5-6-11(2)16-13/h5-7,12H,4,8-10H2,1-3H3/t12-/m1/s1
InChIKeyXWIUFZVAWRJAEU-GFCCVEGCSA-N
XLogP1.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165423592
(3R)-3-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1-propylpiperazine-2,5-dione
CID 165417469
(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 166620028
(3S)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165418780
3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione
CID 130265212
(3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione
CID 165422011
(3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione
CID 165420005
(3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165425764
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
CID 164691531
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424938

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione?
The IUPAC name of (3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione (CID 165421687) is (3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione?
The canonical SMILES for (3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2cccc(C)n2)[C@H](C)C1=O.
What is the InChIKey of (3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione?
The InChIKey is XWIUFZVAWRJAEU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-8-17-10-14(19)18(12(3)15(17)20)9-13-7-5-6-11(2)16-13/h5-7,12H,4,8-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione?
(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 165421687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).