1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione

C13H17N3O4 — CID 103174519

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCOc1ccnc(CN2C(=O)CNC(=O)C2C)c1OC
InChIInChI=1S/C13H17N3O4/c1-8-13(18)15-6-11(17)16(8)7-9-12(20-3)10(19-2)4-5-14-9/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyPOTUHGQRVDQZGB-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.05
Rot. Bonds4

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

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 103174519) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID103174519
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCOc1ccnc(CN2C(=O)CNC(=O)C2C)c1OC
InChIInChI=1S/C13H17N3O4/c1-8-13(18)15-6-11(17)16(8)7-9-12(20-3)10(19-2)4-5-14-9/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyPOTUHGQRVDQZGB-UHFFFAOYSA-N
XLogP-0.05
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 103174320
1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
CID 64969916
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 103173642
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
(3S)-3-benzyl-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165427693
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162638924
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
CID 103173871
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 103174293
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 103173612

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione (CID 103174519) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione is COc1ccnc(CN2C(=O)CNC(=O)C2C)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is POTUHGQRVDQZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-13(18)15-6-11(17)16(8)7-9-12(20-3)10(19-2)4-5-14-9/h4-5,8H,6-7H2,1-3H3,(H,15,18).
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 279.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 103174519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).