(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide

C18H24N4O5 — CID 70714332

IUPAC(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide
SMILESCOc1cccc(N2CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC2=O)c1
InChIInChI=1S/C18H24N4O5/c1-12(23)20-15(6-7-16(19)24)18(26)21-8-9-22(17(25)11-21)13-4-3-5-14(10-13)27-2/h3-5,10,15H,6-9,11H2,1-2H3,(H2,19,24)(H,20,23)/t15-/m0/s1
InChIKeyRJTJRHFDNIGQBE-HNNXBMFYSA-N
MW376.41 g/mol
LogP-0.36
Rot. Bonds7

About (4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide

(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide (PubChem CID 70714332) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is (4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide.

Molecular Properties

Compound Name(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide
PubChem CID70714332
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide
SMILESCOc1cccc(N2CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC2=O)c1
InChIInChI=1S/C18H24N4O5/c1-12(23)20-15(6-7-16(19)24)18(26)21-8-9-22(17(25)11-21)13-4-3-5-14(10-13)27-2/h3-5,10,15H,6-9,11H2,1-2H3,(H2,19,24)(H,20,23)/t15-/m0/s1
InChIKeyRJTJRHFDNIGQBE-HNNXBMFYSA-N
XLogP-0.36
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide
CID 96573729
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
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
4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96576006
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
4-[2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96579896
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
CID 118765217
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758

Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide?
The IUPAC name of (4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide (CID 70714332) is (4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide.
What is the SMILES notation for (4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide?
The canonical SMILES for (4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide is COc1cccc(N2CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC2=O)c1.
What is the InChIKey of (4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide?
The InChIKey is RJTJRHFDNIGQBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-12(23)20-15(6-7-16(19)24)18(26)21-8-9-22(17(25)11-21)13-4-3-5-14(10-13)27-2/h3-5,10,15H,6-9,11H2,1-2H3,(H2,19,24)(H,20,23)/t15-/m0/s1.
What are the key properties of (4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide?
(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide has a molecular weight of 376.41 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide is sourced from PubChem (CID 70714332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).