prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate

C24H26N2O5 — CID 129147432

IUPACprop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate
SMILESC=CCOC(=O)C1(C)CN(C(=O)c2ccc(OC)cc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C24H26N2O5/c1-4-16-31-23(29)24(2)17-25(21(27)19-10-12-20(30-3)13-11-19)14-15-26(24)22(28)18-8-6-5-7-9-18/h4-13H,1,14-17H2,2-3H3
InChIKeySVNNMTWZXULRDC-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.78
Rot. Bonds6

About prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate

prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate (PubChem CID 129147432) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate
PubChem CID129147432
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Nameprop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate
SMILESC=CCOC(=O)C1(C)CN(C(=O)c2ccc(OC)cc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C24H26N2O5/c1-4-16-31-23(29)24(2)17-25(21(27)19-10-12-20(30-3)13-11-19)14-15-26(24)22(28)18-8-6-5-7-9-18/h4-13H,1,14-17H2,2-3H3
InChIKeySVNNMTWZXULRDC-UHFFFAOYSA-N
XLogP2.78
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate
CID 89318221
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate
CID 89318206
[(3S)-4-benzyl-3-methyl-3-prop-2-enylpiperazin-1-yl]-(4-methoxyphenyl)methanone
CID 89317961
prop-2-enyl 1-(4-methoxybenzoyl)-3-methyl-2-oxopiperidine-3-carboxylate
CID 53495095
[4-[5-ethyl-1-[(1Z)-1-(4-methoxyphenyl)buta-1,3-dienyl]pyrazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-phenylmethanone
CID 163264462
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567747
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
ethyl 3-(hydroxymethyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322203
4-(4-methoxybenzoyl)-2-methyl-3-oxo-2-prop-2-enylpiperazine-1-carboxylic acid
CID 154944625
2-benzyl-4-(4-methoxybenzoyl)-3-oxo-2-prop-2-enylpiperazine-1-carboxylic acid
CID 154944654
(4-methoxyphenyl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750047

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate?
The IUPAC name of prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate (CID 129147432) is prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate.
What is the SMILES notation for prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate?
The canonical SMILES for prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate is C=CCOC(=O)C1(C)CN(C(=O)c2ccc(OC)cc2)CCN1C(=O)c1ccccc1.
What is the InChIKey of prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate?
The InChIKey is SVNNMTWZXULRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-4-16-31-23(29)24(2)17-25(21(27)19-10-12-20(30-3)13-11-19)14-15-26(24)22(28)18-8-6-5-7-9-18/h4-13H,1,14-17H2,2-3H3.
What are the key properties of prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate?
prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate has a molecular weight of 422.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate is sourced from PubChem (CID 129147432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).