N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide

C21H26N4O4 — CID 87050342

IUPACN-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide
SMILESCOc1ccccc1N1CCN(C(=O)Cn2c(C)ccc(NC(C)=O)c2=O)CC1
InChIInChI=1S/C21H26N4O4/c1-15-8-9-17(22-16(2)26)21(28)25(15)14-20(27)24-12-10-23(11-13-24)18-6-4-5-7-19(18)29-3/h4-9H,10-14H2,1-3H3,(H,22,26)
InChIKeyAICNAYPWGOIBLH-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.47
Rot. Bonds5

About N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide

N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide (PubChem CID 87050342) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide
PubChem CID87050342
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide
SMILESCOc1ccccc1N1CCN(C(=O)Cn2c(C)ccc(NC(C)=O)c2=O)CC1
InChIInChI=1S/C21H26N4O4/c1-15-8-9-17(22-16(2)26)21(28)25(15)14-20(27)24-12-10-23(11-13-24)18-6-4-5-7-19(18)29-3/h4-9H,10-14H2,1-3H3,(H,22,26)
InChIKeyAICNAYPWGOIBLH-UHFFFAOYSA-N
XLogP1.47
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide
CID 87050503
1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
CID 51364891
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
N-cyclopentyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159270
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide (CID 87050342) is N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide is COc1ccccc1N1CCN(C(=O)Cn2c(C)ccc(NC(C)=O)c2=O)CC1.
What is the InChIKey of N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide?
The InChIKey is AICNAYPWGOIBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15-8-9-17(22-16(2)26)21(28)25(15)14-20(27)24-12-10-23(11-13-24)18-6-4-5-7-19(18)29-3/h4-9H,10-14H2,1-3H3,(H,22,26).
What are the key properties of N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide?
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 87050342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).