(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide

C15H20ClN3O — CID 43600248

IUPAC(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NCCN1CCNCC1
InChIInChI=1S/C15H20ClN3O/c16-14-4-1-13(2-5-14)3-6-15(20)18-9-12-19-10-7-17-8-11-19/h1-6,17H,7-12H2,(H,18,20)/b6-3+
InChIKeyCIJZTXVCXZQNMG-ZZXKWVIFSA-N
MW293.80 g/mol
LogP1.37
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide (PubChem CID 43600248) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
PubChem CID43600248
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NCCN1CCNCC1
InChIInChI=1S/C15H20ClN3O/c16-14-4-1-13(2-5-14)3-6-15(20)18-9-12-19-10-7-17-8-11-19/h1-6,17H,7-12H2,(H,18,20)/b6-3+
InChIKeyCIJZTXVCXZQNMG-ZZXKWVIFSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
CID 43443260
(E)-3-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600198
(E)-3-(4-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6034169
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
CID 110440064
5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide
CID 85073781
(E)-3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]prop-2-enamide
CID 110440061
(E)-3-(4-chlorophenyl)-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]prop-2-enamide
CID 82163347
3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
CID 76948159
(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
CID 47209384
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide
CID 129125171
(E)-3-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 30885116
3-(4-methylphenyl)-N-[2-[4-[3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 2932518

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide (CID 43600248) is (E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)NCCN1CCNCC1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The InChIKey is CIJZTXVCXZQNMG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-14-4-1-13(2-5-14)3-6-15(20)18-9-12-19-10-7-17-8-11-19/h1-6,17H,7-12H2,(H,18,20)/b6-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide has a molecular weight of 293.80 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 43600248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).