2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide

C19H29N3O4 — CID 95721705

IUPAC2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C19H29N3O4/c1-13-14(2)17(26-4)6-5-15(13)12-22-9-7-21-19(24)16(22)11-18(23)20-8-10-25-3/h5-6,16H,7-12H2,1-4H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyKLFUWODGXBNTBO-MRXNPFEDSA-N
MW363.46 g/mol
LogP0.77
Rot. Bonds8

About 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide

2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 95721705) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
PubChem CID95721705
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C19H29N3O4/c1-13-14(2)17(26-4)6-5-15(13)12-22-9-7-21-19(24)16(22)11-18(23)20-8-10-25-3/h5-6,16H,7-12H2,1-4H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyKLFUWODGXBNTBO-MRXNPFEDSA-N
XLogP0.77
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42212392
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
CID 26333714
ethyl 4-[2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 25381314
N-(3-methoxypropyl)-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45212622
2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42394628
N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45244517
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45198435
N-(2-methoxyethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56888571
N-(3-methoxypropyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45194109
N-(2-amino-2-oxoethyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56891969
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
CID 56899622
2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95718709

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide (CID 95721705) is 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C.
What is the InChIKey of 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is KLFUWODGXBNTBO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13-14(2)17(26-4)6-5-15(13)12-22-9-7-21-19(24)16(22)11-18(23)20-8-10-25-3/h5-6,16H,7-12H2,1-4H3,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 95721705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).