[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea

C21H24N4O4 — CID 70736446

IUPAC[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea
SMILESCOc1cccc(N2CC(Cc3ccccc3)N(C(=O)CNC(N)=O)CC2=O)c1
InChIInChI=1S/C21H24N4O4/c1-29-18-9-5-8-16(11-18)24-13-17(10-15-6-3-2-4-7-15)25(14-20(24)27)19(26)12-23-21(22)28/h2-9,11,17H,10,12-14H2,1H3,(H3,22,23,28)
InChIKeyWIFLFUHGUNBBBL-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.15
Rot. Bonds6

About [2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea

[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea (PubChem CID 70736446) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is [2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea
PubChem CID70736446
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea
SMILESCOc1cccc(N2CC(Cc3ccccc3)N(C(=O)CNC(N)=O)CC2=O)c1
InChIInChI=1S/C21H24N4O4/c1-29-18-9-5-8-16(11-18)24-13-17(10-15-6-3-2-4-7-15)25(14-20(24)27)19(26)12-23-21(22)28/h2-9,11,17H,10,12-14H2,1H3,(H3,22,23,28)
InChIKeyWIFLFUHGUNBBBL-UHFFFAOYSA-N
XLogP1.15
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide
CID 97113526
(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one
CID 96578517
5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one
CID 70767727
4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
CID 70738705
4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90567182
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide
CID 96572799
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 70748407
N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 55956031
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431

Frequently Asked Questions

What is the IUPAC name of [2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea (CID 70736446) is [2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea is COc1cccc(N2CC(Cc3ccccc3)N(C(=O)CNC(N)=O)CC2=O)c1.
What is the InChIKey of [2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea?
The InChIKey is WIFLFUHGUNBBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-29-18-9-5-8-16(11-18)24-13-17(10-15-6-3-2-4-7-15)25(14-20(24)27)19(26)12-23-21(22)28/h2-9,11,17H,10,12-14H2,1H3,(H3,22,23,28).
What are the key properties of [2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea?
[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea has a molecular weight of 396.45 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 70736446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).