2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide

C20H27N5O3 — CID 45215989

IUPAC2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCn2cccn2)cc1C
InChIInChI=1S/C20H27N5O3/c1-15-12-16(4-5-18(15)28-2)14-24-10-7-22-20(27)17(24)13-19(26)21-8-11-25-9-3-6-23-25/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyHIQNUWZYSLPLJE-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.71
Rot. Bonds8

About 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide

2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 45215989) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID45215989
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCn2cccn2)cc1C
InChIInChI=1S/C20H27N5O3/c1-15-12-16(4-5-18(15)28-2)14-24-10-7-22-20(27)17(24)13-19(26)21-8-11-25-9-3-6-23-25/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyHIQNUWZYSLPLJE-UHFFFAOYSA-N
XLogP0.71
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42196097
N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95727326
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 42344754
2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45224138
(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95711036
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propylacetamide
CID 56884384
2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 95727216
N-butyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56886045
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45244015
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 45187962
3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one
CID 45172603

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide (CID 45215989) is 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)NCCn2cccn2)cc1C.
What is the InChIKey of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is HIQNUWZYSLPLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-15-12-16(4-5-18(15)28-2)14-24-10-7-22-20(27)17(24)13-19(26)21-8-11-25-9-3-6-23-25/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 385.47 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 45215989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).