1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone

C14H21N3O3 — CID 170861299

IUPAC1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C)CC2)nc1OC
InChIInChI=1S/C14H21N3O3/c1-16-6-8-17(9-7-16)10-12(18)11-4-5-13(19-2)14(15-11)20-3/h4-5H,6-10H2,1-3H3
InChIKeyFKUSECYKMGKLAN-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.53
Rot. Bonds5

About 1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861299) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861299
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C)CC2)nc1OC
InChIInChI=1S/C14H21N3O3/c1-16-6-8-17(9-7-16)10-12(18)11-4-5-13(19-2)14(15-11)20-3/h4-5H,6-10H2,1-3H3
InChIKeyFKUSECYKMGKLAN-UHFFFAOYSA-N
XLogP0.53
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid
CID 170861345
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861684
1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861270
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193413
1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861337
1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862095

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 170861299) is 1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone is COc1ccc(C(=O)CN2CCN(C)CC2)nc1OC.
What is the InChIKey of 1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is FKUSECYKMGKLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-6-8-17(9-7-16)10-12(18)11-4-5-13(19-2)14(15-11)20-3/h4-5H,6-10H2,1-3H3.
What are the key properties of 1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).