1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one

C14H21N3O3 — CID 103173871

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
SMILESCOc1ccnc(CN2CCNC(C)(C)C2=O)c1OC
InChIInChI=1S/C14H21N3O3/c1-14(2)13(18)17(8-7-16-14)9-10-12(20-4)11(19-3)5-6-15-10/h5-6,16H,7-9H2,1-4H3
InChIKeyNHKXFPDVSKNGCT-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.81
Rot. Bonds4

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one (PubChem CID 103173871) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
PubChem CID103173871
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
SMILESCOc1ccnc(CN2CCNC(C)(C)C2=O)c1OC
InChIInChI=1S/C14H21N3O3/c1-14(2)13(18)17(8-7-16-14)9-10-12(20-4)11(19-3)5-6-15-10/h5-6,16H,7-9H2,1-4H3
InChIKeyNHKXFPDVSKNGCT-UHFFFAOYSA-N
XLogP0.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162638924
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 103174293
(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 103173642
1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155914640
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 103173472
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
CID 103174519
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 103173612
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 103174320
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine
CID 103172752
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 103173349

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one (CID 103173871) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one is COc1ccnc(CN2CCNC(C)(C)C2=O)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is NHKXFPDVSKNGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2)13(18)17(8-7-16-14)9-10-12(20-4)11(19-3)5-6-15-10/h5-6,16H,7-9H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.81, 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]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 103173871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).