2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide

C18H25N3O3 — CID 45218015

IUPAC2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)CC1C(=O)NCCN1Cc1ccccc1OC
InChIInChI=1S/C18H25N3O3/c1-13(2)11-20-17(22)10-15-18(23)19-8-9-21(15)12-14-6-4-5-7-16(14)24-3/h4-7,15H,1,8-12H2,2-3H3,(H,19,23)(H,20,22)
InChIKeyFIHMXQGEJNQLBO-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.08
Rot. Bonds7

About 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide

2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide (PubChem CID 45218015) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
PubChem CID45218015
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)CC1C(=O)NCCN1Cc1ccccc1OC
InChIInChI=1S/C18H25N3O3/c1-13(2)11-20-17(22)10-15-18(23)19-8-9-21(15)12-14-6-4-5-7-16(14)24-3/h4-7,15H,1,8-12H2,2-3H3,(H,19,23)(H,20,22)
InChIKeyFIHMXQGEJNQLBO-UHFFFAOYSA-N
XLogP1.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56891969
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45198435
N-(2-amino-2-oxoethyl)-2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56906729
2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 45184742
N-(4-hydroxycyclohexyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45203710
N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 42094081
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42215171
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
CID 26333714
N-(2-methoxyethyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 56885671
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 45216041
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(2S)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 124828301
N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56903638

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide (CID 45218015) is 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide is C=C(C)CNC(=O)CC1C(=O)NCCN1Cc1ccccc1OC.
What is the InChIKey of 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is FIHMXQGEJNQLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(2)11-20-17(22)10-15-18(23)19-8-9-21(15)12-14-6-4-5-7-16(14)24-3/h4-7,15H,1,8-12H2,2-3H3,(H,19,23)(H,20,22).
What are the key properties of 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide?
2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 45218015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).