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

C22H26FN3O2 — CID 45249769

IUPACN-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-5-7-18(8-6-16)15-26-12-11-25-22(28)20(26)14-21(27)24-10-9-17-3-2-4-19(23)13-17/h2-8,13,20H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyXDEKKXQKPTXREI-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.18
Rot. Bonds7

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

N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 45249769) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID45249769
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-5-7-18(8-6-16)15-26-12-11-25-22(28)20(26)14-21(27)24-10-9-17-3-2-4-19(23)13-17/h2-8,13,20H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyXDEKKXQKPTXREI-UHFFFAOYSA-N
XLogP2.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 42393367
N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95725614
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45244015
2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide
CID 126434045
3-[[2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]amino]propanamide
CID 95716172
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 45185305
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 46968283
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 45179991
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide
CID 46970496
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 26394507

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 45249769) is N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is Cc1ccc(CN2CCNC(=O)C2CC(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is XDEKKXQKPTXREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-5-7-18(8-6-16)15-26-12-11-25-22(28)20(26)14-21(27)24-10-9-17-3-2-4-19(23)13-17/h2-8,13,20H,9-12,14-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 45249769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).