N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C20H26FN5O3 — CID 24790113

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCc2cc(C)n(C)n2)c(F)c1
InChIInChI=1S/C20H26FN5O3/c1-13-8-15(24-25(13)2)11-23-19(27)10-18-20(28)22-6-7-26(18)12-14-4-5-16(29-3)9-17(14)21/h4-5,8-9,18H,6-7,10-12H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyZAIYKTSTPLXRBP-UHFFFAOYSA-N
MW403.46 g/mol
LogP0.88
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24790113) has the molecular formula C20H26FN5O3 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24790113
Molecular FormulaC20H26FN5O3
Molecular Weight403.46 g/mol
Exact Mass403.20
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCc2cc(C)n(C)n2)c(F)c1
InChIInChI=1S/C20H26FN5O3/c1-13-8-15(24-25(13)2)11-23-19(27)10-18-20(28)22-6-7-26(18)12-14-4-5-16(29-3)9-17(14)21/h4-5,8-9,18H,6-7,10-12H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyZAIYKTSTPLXRBP-UHFFFAOYSA-N
XLogP0.88
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-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

N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
N-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyrazole-3-carboxamide
CID 129226774
5-(4-methoxybenzyl)-4-oxo-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 1474584
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-methoxybenzyl)butanamide
CID 5056530
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]acetamide
CID 16187743
(3-Cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 16321718
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790433
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide
CID 24791239
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-[1-(4-ethoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24817666

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24790113) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)NCc2cc(C)n(C)n2)c(F)c1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is ZAIYKTSTPLXRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O3/c1-13-8-15(24-25(13)2)11-23-19(27)10-18-20(28)22-6-7-26(18)12-14-4-5-16(29-3)9-17(14)21/h4-5,8-9,18H,6-7,10-12H2,1-3H3,(H,22,28)(H,23,27).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 403.46 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24790113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).