N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide

C18H25N3O3 — CID 78087226

IUPACN-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
SMILESCC(=O)NC(CC(C)C)C(=O)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H25N3O3/c1-13(2)11-16(19-14(3)22)18(24)20-9-10-21(17(23)12-20)15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3,(H,19,22)
InChIKeyKYLODVGHIAVCIF-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.41
Rot. Bonds5

About N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide

N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide (PubChem CID 78087226) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
PubChem CID78087226
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
SMILESCC(=O)NC(CC(C)C)C(=O)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H25N3O3/c1-13(2)11-16(19-14(3)22)18(24)20-9-10-21(17(23)12-20)15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3,(H,19,22)
InChIKeyKYLODVGHIAVCIF-UHFFFAOYSA-N
XLogP1.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-4-methylsulfanyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)butan-2-yl]acetamide
CID 70751926
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide
CID 96573729
(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide
CID 70714332
N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide
CID 86815509
4-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-1-phenylpiperazin-2-one
CID 96574547
N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide
CID 122138775
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415
N-[(2S)-4-methyl-1-(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)-1-oxopentan-2-yl]acetamide
CID 146046597
1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
CID 96578207

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide?
The IUPAC name of N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide (CID 78087226) is N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide is CC(=O)NC(CC(C)C)C(=O)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide?
The InChIKey is KYLODVGHIAVCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(2)11-16(19-14(3)22)18(24)20-9-10-21(17(23)12-20)15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3,(H,19,22).
What are the key properties of N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide?
N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide is sourced from PubChem (CID 78087226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).