N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide

C24H29N3O3 — CID 110250454

IUPACN-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
SMILESCCN1CCN(C(=O)CNC(C)=O)C(Cc2ccccc2-c2cccc(C)c2)C1=O
InChIInChI=1S/C24H29N3O3/c1-4-26-12-13-27(23(29)16-25-18(3)28)22(24(26)30)15-20-9-5-6-11-21(20)19-10-7-8-17(2)14-19/h5-11,14,22H,4,12-13,15-16H2,1-3H3,(H,25,28)
InChIKeyNZMDFLPKUNAWIF-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.40
Rot. Bonds6

About N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 110250454) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID110250454
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
SMILESCCN1CCN(C(=O)CNC(C)=O)C(Cc2ccccc2-c2cccc(C)c2)C1=O
InChIInChI=1S/C24H29N3O3/c1-4-26-12-13-27(23(29)16-25-18(3)28)22(24(26)30)15-20-9-5-6-11-21(20)19-10-7-8-17(2)14-19/h5-11,14,22H,4,12-13,15-16H2,1-3H3,(H,25,28)
InChIKeyNZMDFLPKUNAWIF-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one
CID 110088248
(3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
CID 129453365
(3S)-4-(cyclohexanecarbonyl)-1-ethyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811633
4-(1-acetylpiperidine-4-carbonyl)-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one
CID 110088314
3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 155983007
4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250406
(3S)-4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811815
4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one
CID 110250541
(3R)-4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one
CID 95812106
(3S)-1-ethyl-4-(2-methoxyacetyl)-3-[[4-(3-methoxyphenyl)phenyl]methyl]piperazin-2-one
CID 95811759
4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250410

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide (CID 110250454) is N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide is CCN1CCN(C(=O)CNC(C)=O)C(Cc2ccccc2-c2cccc(C)c2)C1=O.
What is the InChIKey of N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is NZMDFLPKUNAWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-26-12-13-27(23(29)16-25-18(3)28)22(24(26)30)15-20-9-5-6-11-21(20)19-10-7-8-17(2)14-19/h5-11,14,22H,4,12-13,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110250454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).