N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide

C16H22N4O3 — CID 113163569

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N1CCN(C(=O)CN(Cc2cccnc2)C(C)=O)CC1
InChIInChI=1S/C16H22N4O3/c1-13(21)18-6-8-19(9-7-18)16(23)12-20(14(2)22)11-15-4-3-5-17-10-15/h3-5,10H,6-9,11-12H2,1-2H3
InChIKeyOOBDBSFYJCTSSY-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.12
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113163569) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113163569
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N1CCN(C(=O)CN(Cc2cccnc2)C(C)=O)CC1
InChIInChI=1S/C16H22N4O3/c1-13(21)18-6-8-19(9-7-18)16(23)12-20(14(2)22)11-15-4-3-5-17-10-15/h3-5,10H,6-9,11-12H2,1-2H3
InChIKeyOOBDBSFYJCTSSY-UHFFFAOYSA-N
XLogP0.12
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113163589
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113120425
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113151644
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
CID 113163650
2-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113163705
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
3-[acetyl(pyridin-3-ylmethyl)amino]-2-methylpropanoic acid
CID 82323200
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110611606
N-[(4-chlorophenyl)methyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113162741
2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone
CID 95707541
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163737

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide (CID 113163569) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide is CC(=O)N1CCN(C(=O)CN(Cc2cccnc2)C(C)=O)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is OOBDBSFYJCTSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-13(21)18-6-8-19(9-7-18)16(23)12-20(14(2)22)11-15-4-3-5-17-10-15/h3-5,10H,6-9,11-12H2,1-2H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113163569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).