2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide

C19H24N4O5 — CID 56890384

IUPAC2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCc2ccon2)c(OC)c1
InChIInChI=1S/C19H24N4O5/c1-26-15-4-3-13(17(9-15)27-2)12-23-7-6-20-19(25)16(23)10-18(24)21-11-14-5-8-28-22-14/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyDHFNXGQQVHBPFS-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.70
Rot. Bonds8

About 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide

2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 56890384) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID56890384
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCc2ccon2)c(OC)c1
InChIInChI=1S/C19H24N4O5/c1-26-15-4-3-13(17(9-15)27-2)12-23-7-6-20-19(25)16(23)10-18(24)21-11-14-5-8-28-22-14/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyDHFNXGQQVHBPFS-UHFFFAOYSA-N
XLogP0.70
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95718709
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 45214685
N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56885196
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56898233
2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
CID 42098345
N-butyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45233537
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
CID 56899622
N-butyl-2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95717662
2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 25385501
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide
CID 24791239
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 45196329
N-(2-amino-2-oxoethyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56891969

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 56890384) is 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)NCc2ccon2)c(OC)c1.
What is the InChIKey of 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is DHFNXGQQVHBPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-26-15-4-3-13(17(9-15)27-2)12-23-7-6-20-19(25)16(23)10-18(24)21-11-14-5-8-28-22-14/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 388.42 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 56890384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).