prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate

C23H24N2O4 — CID 89318221

IUPACprop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate
SMILESC=CCOC(=O)C1(C)CN(C(=O)c2ccccc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C23H24N2O4/c1-3-16-29-22(28)23(2)17-24(20(26)18-10-6-4-7-11-18)14-15-25(23)21(27)19-12-8-5-9-13-19/h3-13H,1,14-17H2,2H3
InChIKeyLCDAOZFJEUFDSN-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.77
Rot. Bonds5

About prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate

prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate (PubChem CID 89318221) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate
PubChem CID89318221
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Nameprop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate
SMILESC=CCOC(=O)C1(C)CN(C(=O)c2ccccc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C23H24N2O4/c1-3-16-29-22(28)23(2)17-24(20(26)18-10-6-4-7-11-18)14-15-25(23)21(27)19-12-8-5-9-13-19/h3-13H,1,14-17H2,2H3
InChIKeyLCDAOZFJEUFDSN-UHFFFAOYSA-N
XLogP2.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate
CID 129147432
prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate
CID 89318206
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567747
[(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone
CID 89369712
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
[3,3-dimethyl-4-(2-methylbutyl)piperazin-1-yl]-phenylmethanone
CID 129260192
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 103727180
[(3S)-4-benzyl-3-methyl-3-prop-2-enylpiperazin-1-yl]-(4-methoxyphenyl)methanone
CID 89317961
prop-2-enyl N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
CID 108725715
1-O-tert-butyl 6-O-prop-2-enyl 4-benzoyl-5-oxo-1,4-diazepane-1,6-dicarboxylate
CID 154944611
methyl 1-benzoyl-4-deuterio-2-prop-2-enylazetidine-2-carboxylate
CID 10635081

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate?
The IUPAC name of prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate (CID 89318221) is prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate.
What is the SMILES notation for prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate?
The canonical SMILES for prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate is C=CCOC(=O)C1(C)CN(C(=O)c2ccccc2)CCN1C(=O)c1ccccc1.
What is the InChIKey of prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate?
The InChIKey is LCDAOZFJEUFDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-16-29-22(28)23(2)17-24(20(26)18-10-6-4-7-11-18)14-15-25(23)21(27)19-12-8-5-9-13-19/h3-13H,1,14-17H2,2H3.
What are the key properties of prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate?
prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate is sourced from PubChem (CID 89318221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).