2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide

C19H29N3O4 — CID 56898233

IUPAC2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C(C)C)c(OC)c1
InChIInChI=1S/C19H29N3O4/c1-13(2)21(3)18(23)11-16-19(24)20-8-9-22(16)12-14-6-7-15(25-4)10-17(14)26-5/h6-7,10,13,16H,8-9,11-12H2,1-5H3,(H,20,24)
InChIKeyJJBPWIWKYHUPTP-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.26
Rot. Bonds7

About 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide

2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 56898233) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID56898233
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C(C)C)c(OC)c1
InChIInChI=1S/C19H29N3O4/c1-13(2)21(3)18(23)11-16-19(24)20-8-9-22(16)12-14-6-7-15(25-4)10-17(14)26-5/h6-7,10,13,16H,8-9,11-12H2,1-5H3,(H,20,24)
InChIKeyJJBPWIWKYHUPTP-UHFFFAOYSA-N
XLogP1.26
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45233537
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 95716903
2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95718709
N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725127
N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725128
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 56890384
N-methyl-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95720629
N-butyl-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95723294
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 45172728
N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45244517
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56890537
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 24791559

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide (CID 56898233) is 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C(C)C)c(OC)c1.
What is the InChIKey of 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is JJBPWIWKYHUPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13(2)21(3)18(23)11-16-19(24)20-8-9-22(16)12-14-6-7-15(25-4)10-17(14)26-5/h6-7,10,13,16H,8-9,11-12H2,1-5H3,(H,20,24).
What are the key properties of 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 363.46 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 56898233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).