6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione

C16H23N3O2 — CID 64968810

IUPAC6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cccc(CN2C(=O)C(CC(C)C)NC(=O)C2C)n1
InChIInChI=1S/C16H23N3O2/c1-10(2)8-14-16(21)19(12(4)15(20)18-14)9-13-7-5-6-11(3)17-13/h5-7,10,12,14H,8-9H2,1-4H3,(H,18,20)
InChIKeyBFEPGQKYMKDMBD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds4

About 6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione

6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 64968810) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID64968810
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cccc(CN2C(=O)C(CC(C)C)NC(=O)C2C)n1
InChIInChI=1S/C16H23N3O2/c1-10(2)8-14-16(21)19(12(4)15(20)18-14)9-13-7-5-6-11(3)17-13/h5-7,10,12,14H,8-9H2,1-4H3,(H,18,20)
InChIKeyBFEPGQKYMKDMBD-UHFFFAOYSA-N
XLogP1.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 64968881
6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
CID 114702109
6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962323
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902675
(5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 100667547
1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964778
3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 79260645
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione
CID 79260475
1-[(4-bromothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901145
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 106376914

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione (CID 64968810) is 6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione is Cc1cccc(CN2C(=O)C(CC(C)C)NC(=O)C2C)n1.
What is the InChIKey of 6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is BFEPGQKYMKDMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)8-14-16(21)19(12(4)15(20)18-14)9-13-7-5-6-11(3)17-13/h5-7,10,12,14H,8-9H2,1-4H3,(H,18,20).
What are the key properties of 6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64968810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).