3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one

C15H18N2O3 — CID 63606558

IUPAC3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one
SMILESC=CCOc1ccccc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C15H18N2O3/c1-3-10-20-13-7-5-4-6-12(13)15(19)17-9-8-16-14(18)11(17)2/h3-7,11H,1,8-10H2,2H3,(H,16,18)
InChIKeyQEYAGQQSQLIHKS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.21
Rot. Bonds4

About 3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one

3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one (PubChem CID 63606558) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one
PubChem CID63606558
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one
SMILESC=CCOc1ccccc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C15H18N2O3/c1-3-10-20-13-7-5-4-6-12(13)15(19)17-9-8-16-14(18)11(17)2/h3-7,11H,1,8-10H2,2H3,(H,16,18)
InChIKeyQEYAGQQSQLIHKS-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63606388
3-methyl-1-(2-prop-2-enoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 102775190
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119403725
4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
(2R)-1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 79035089
1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 43355997
4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one
CID 63595747
4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
CID 55217652
(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 43417500
4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 106771878

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one (CID 63606558) is 3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one is C=CCOc1ccccc1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one?
The InChIKey is QEYAGQQSQLIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-10-20-13-7-5-4-6-12(13)15(19)17-9-8-16-14(18)11(17)2/h3-7,11H,1,8-10H2,2H3,(H,16,18).
What are the key properties of 3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one?
3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 63606558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).