2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide

C15H22N4O3 — CID 119470768

IUPAC2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC1CNCCN1C(=O)COCC(=O)NCc1cccnc1
InChIInChI=1S/C15H22N4O3/c1-12-7-17-5-6-19(12)15(21)11-22-10-14(20)18-9-13-3-2-4-16-8-13/h2-4,8,12,17H,5-7,9-11H2,1H3,(H,18,20)
InChIKeyGXOQFPWSXUKDIW-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.47
Rot. Bonds6

About 2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 119470768) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID119470768
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC1CNCCN1C(=O)COCC(=O)NCc1cccnc1
InChIInChI=1S/C15H22N4O3/c1-12-7-17-5-6-19(12)15(21)11-22-10-14(20)18-9-13-3-2-4-16-8-13/h2-4,8,12,17H,5-7,9-11H2,1H3,(H,18,20)
InChIKeyGXOQFPWSXUKDIW-UHFFFAOYSA-N
XLogP-0.47
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 120572330
2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 120737468
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
tert-butyl 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 22557197
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
CID 118137995
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid
CID 119362434
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
[2,6-difluoro-4-(pyridin-3-ylmethoxy)phenyl]methyl 2-methylpiperazine-1-carboxylate
CID 90789137

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 119470768) is 2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide is CC1CNCCN1C(=O)COCC(=O)NCc1cccnc1.
What is the InChIKey of 2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is GXOQFPWSXUKDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-12-7-17-5-6-19(12)15(21)11-22-10-14(20)18-9-13-3-2-4-16-8-13/h2-4,8,12,17H,5-7,9-11H2,1H3,(H,18,20).
What are the key properties of 2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 306.37 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 119470768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).