3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

C15H21N3O2 — CID 64970066

IUPAC3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(CN2C(=O)C(C)NC(=O)C2C(C)C)cn1
InChIInChI=1S/C15H21N3O2/c1-9(2)13-14(19)17-11(4)15(20)18(13)8-12-6-5-10(3)16-7-12/h5-7,9,11,13H,8H2,1-4H3,(H,17,19)
InChIKeyPXSTZYJATISNBG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.26
Rot. Bonds3

About 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64970066) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64970066
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(CN2C(=O)C(C)NC(=O)C2C(C)C)cn1
InChIInChI=1S/C15H21N3O2/c1-9(2)13-14(19)17-11(4)15(20)18(13)8-12-6-5-10(3)16-7-12/h5-7,9,11,13H,8H2,1-4H3,(H,17,19)
InChIKeyPXSTZYJATISNBG-UHFFFAOYSA-N
XLogP1.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64874084
1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 104812683
1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 82748766
1-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64875269
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64874080
1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64969942
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 79237764
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409247
6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64872578
6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64873895
1-(2-fluoroethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 80696895

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 64970066) is 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is Cc1ccc(CN2C(=O)C(C)NC(=O)C2C(C)C)cn1.
What is the InChIKey of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is PXSTZYJATISNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(2)13-14(19)17-11(4)15(20)18(13)8-12-6-5-10(3)16-7-12/h5-7,9,11,13H,8H2,1-4H3,(H,17,19).
What are the key properties of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64970066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).