3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one

C26H30N4O2 — CID 155983007

IUPAC3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
SMILESCc1cccc(-c2ccccc2CC2C(=O)NCCN2C(=O)Cn2nc(C)c(C)c2C)c1
InChIInChI=1S/C26H30N4O2/c1-17-8-7-10-21(14-17)23-11-6-5-9-22(23)15-24-26(32)27-12-13-29(24)25(31)16-30-20(4)18(2)19(3)28-30/h5-11,14,24H,12-13,15-16H2,1-4H3,(H,27,32)
InChIKeyZUWMWBNZJJDVNX-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.35
Rot. Bonds5

About 3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one

3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one (PubChem CID 155983007) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
PubChem CID155983007
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
SMILESCc1cccc(-c2ccccc2CC2C(=O)NCCN2C(=O)Cn2nc(C)c(C)c2C)c1
InChIInChI=1S/C26H30N4O2/c1-17-8-7-10-21(14-17)23-11-6-5-9-22(23)15-24-26(32)27-12-13-29(24)25(31)16-30-20(4)18(2)19(3)28-30/h5-11,14,24H,12-13,15-16H2,1-4H3,(H,27,32)
InChIKeyZUWMWBNZJJDVNX-UHFFFAOYSA-N
XLogP3.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 74241317
(3R)-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]piperazin-2-one
CID 125011408
4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoyl]-3-[[2-(4-fluorophenyl)phenyl]methyl]piperazin-2-one
CID 110250456
(3S)-4-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoyl]-3-[[2-(4-fluorophenyl)phenyl]methyl]piperazin-2-one
CID 95811923
(3S)-4-(2-methyl-1,3-benzothiazole-6-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
CID 124964453
4-(2-methyl-1,3-benzothiazole-6-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
CID 110088239
N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
CID 110250454
(3S)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95811829
4-[2-(4-methylphenoxy)propanoyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250413
2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110657548
(3S)-4-[4-(2-fluorophenoxy)butanoyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95811827
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one?
The IUPAC name of 3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one (CID 155983007) is 3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one?
The canonical SMILES for 3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one is Cc1cccc(-c2ccccc2CC2C(=O)NCCN2C(=O)Cn2nc(C)c(C)c2C)c1.
What is the InChIKey of 3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one?
The InChIKey is ZUWMWBNZJJDVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17-8-7-10-21(14-17)23-11-6-5-9-22(23)15-24-26(32)27-12-13-29(24)25(31)16-30-20(4)18(2)19(3)28-30/h5-11,14,24H,12-13,15-16H2,1-4H3,(H,27,32).
What are the key properties of 3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one?
3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one has a molecular weight of 430.55 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 155983007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).