6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione

C16H23N3O2 — CID 114702109

IUPAC6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cnccc1CN1C(=O)C(CC(C)C)NC(=O)C1C
InChIInChI=1S/C16H23N3O2/c1-10(2)7-14-16(21)19(12(4)15(20)18-14)9-13-5-6-17-8-11(13)3/h5-6,8,10,12,14H,7,9H2,1-4H3,(H,18,20)
InChIKeyWPCKPJWDMWMKAU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds4

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

6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 114702109) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID114702109
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cnccc1CN1C(=O)C(CC(C)C)NC(=O)C1C
InChIInChI=1S/C16H23N3O2/c1-10(2)7-14-16(21)19(12(4)15(20)18-14)9-13-5-6-17-8-11(13)3/h5-6,8,10,12,14H,7,9H2,1-4H3,(H,18,20)
InChIKeyWPCKPJWDMWMKAU-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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione (CID 114702109) is 6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione is Cc1cnccc1CN1C(=O)C(CC(C)C)NC(=O)C1C.
What is the InChIKey of 6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is WPCKPJWDMWMKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)7-14-16(21)19(12(4)15(20)18-14)9-13-5-6-17-8-11(13)3/h5-6,8,10,12,14H,7,9H2,1-4H3,(H,18,20).
What are the key properties of 6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione?
6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-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-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 114702109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).