prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate

C21H22N2O3 — CID 108567747

IUPACprop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H22N2O3/c1-2-16-26-21(25)23-14-12-22(13-15-23)20(24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-11H,1,12-16H2
InChIKeyXZGCHMFLRGIYCP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.43
Rot. Bonds4

About prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate

prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate (PubChem CID 108567747) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
PubChem CID108567747
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Nameprop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H22N2O3/c1-2-16-26-21(25)23-14-12-22(13-15-23)20(24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-11H,1,12-16H2
InChIKeyXZGCHMFLRGIYCP-UHFFFAOYSA-N
XLogP3.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567740
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
prop-2-enyl 4-[4-(methanesulfonamido)benzoyl]piperazine-1-carboxylate
CID 108568479
(1-methylcycloprop-2-en-1-yl) 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 143267121
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
prop-2-enyl 4-(3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 108569341
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate (CID 108567747) is prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate is C=CCOC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate?
The InChIKey is XZGCHMFLRGIYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-16-26-21(25)23-14-12-22(13-15-23)20(24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-11H,1,12-16H2.
What are the key properties of prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate?
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108567747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).