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

C19H28FN3O2 — CID 45180905

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H28FN3O2/c1-14(2)8-10-23-11-9-21-19(25)17(23)12-18(24)22(3)13-15-4-6-16(20)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H,21,25)
InChIKeyJMDFAOAAGVMVGA-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.02
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 45180905) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID45180905
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H28FN3O2/c1-14(2)8-10-23-11-9-21-19(25)17(23)12-18(24)22(3)13-15-4-6-16(20)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H,21,25)
InChIKeyJMDFAOAAGVMVGA-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 25452555
N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 45193091
2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 45171249
N-methyl-N-(2-methylpropyl)-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95727903
N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95708333
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45169642
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 45171750
(3S)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
CID 26412996
2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-prop-2-enyl-N-prop-2-ynylacetamide
CID 42461957
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 56905165
N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide (CID 45180905) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is JMDFAOAAGVMVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-14(2)8-10-23-11-9-21-19(25)17(23)12-18(24)22(3)13-15-4-6-16(20)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 349.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 45180905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).