N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide

C18H25N3O4 — CID 96573729

IUPACN-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide
SMILESCCC[C@@H](NC(C)=O)C(=O)N1CCN(c2ccc(OC)cc2)C(=O)C1
InChIInChI=1S/C18H25N3O4/c1-4-5-16(19-13(2)22)18(24)20-10-11-21(17(23)12-20)14-6-8-15(25-3)9-7-14/h6-9,16H,4-5,10-12H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyNFLJCYQITOWXKN-MRXNPFEDSA-N
MW347.42 g/mol
LogP1.18
Rot. Bonds6

About N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide

N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide (PubChem CID 96573729) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide
PubChem CID96573729
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide
SMILESCCC[C@@H](NC(C)=O)C(=O)N1CCN(c2ccc(OC)cc2)C(=O)C1
InChIInChI=1S/C18H25N3O4/c1-4-5-16(19-13(2)22)18(24)20-10-11-21(17(23)12-20)14-6-8-15(25-3)9-7-14/h6-9,16H,4-5,10-12H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyNFLJCYQITOWXKN-MRXNPFEDSA-N
XLogP1.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide with MolForge

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Related Compounds

(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide
CID 70714332
N-[(2S)-4-methylsulfanyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)butan-2-yl]acetamide
CID 70751926
N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
CID 78087226
1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 70763294
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one
CID 70722598
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
1-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopentan-2-yl]-3-(4-methoxyphenyl)urea
CID 42698495
4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one
CID 70732476
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
1-(4-methoxyphenyl)-4-[(5-propylfuran-2-yl)methyl]piperazin-2-one
CID 70763198

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide (CID 96573729) is N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide is CCC[C@@H](NC(C)=O)C(=O)N1CCN(c2ccc(OC)cc2)C(=O)C1.
What is the InChIKey of N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide?
The InChIKey is NFLJCYQITOWXKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-4-5-16(19-13(2)22)18(24)20-10-11-21(17(23)12-20)14-6-8-15(25-3)9-7-14/h6-9,16H,4-5,10-12H2,1-3H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide?
N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 96573729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).