1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione

C14H19N3O2 — CID 114702104

IUPAC1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1cnccc1CN1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C14H19N3O2/c1-9(2)13-14(19)17(8-12(18)16-13)7-11-4-5-15-6-10(11)3/h4-6,9,13H,7-8H2,1-3H3,(H,16,18)
InChIKeyGAAWEFUHHHOZDS-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.87
Rot. Bonds3

About 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione

1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 114702104) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID114702104
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1cnccc1CN1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C14H19N3O2/c1-9(2)13-14(19)17(8-12(18)16-13)7-11-4-5-15-6-10(11)3/h4-6,9,13H,7-8H2,1-3H3,(H,16,18)
InChIKeyGAAWEFUHHHOZDS-UHFFFAOYSA-N
XLogP0.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-tert-butyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
CID 114702110
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64878987
3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione
CID 114112313
1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879368
3,3-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
CID 114702123
1-[(2-bromophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64881106
1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one
CID 114702369
3-bromo-1-[(3-methyl-4-pyridinyl)methyl]piperidin-2-one
CID 114701948
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879364
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 106377091
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64970996
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966344

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (CID 114702104) is 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is Cc1cnccc1CN1CC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is GAAWEFUHHHOZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)13-14(19)17(8-12(18)16-13)7-11-4-5-15-6-10(11)3/h4-6,9,13H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 114702104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).