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

C16H22ClN3O — CID 43443260

IUPAC(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NCCCN1CCNCC1
InChIInChI=1S/C16H22ClN3O/c17-15-5-2-14(3-6-15)4-7-16(21)19-8-1-11-20-12-9-18-10-13-20/h2-7,18H,1,8-13H2,(H,19,21)/b7-4+
InChIKeyMFGIBGXZHYOLAE-QPJJXVBHSA-N
MW307.82 g/mol
LogP1.76
Rot. Bonds6

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

(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide (PubChem CID 43443260) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
PubChem CID43443260
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NCCCN1CCNCC1
InChIInChI=1S/C16H22ClN3O/c17-15-5-2-14(3-6-15)4-7-16(21)19-8-1-11-20-12-9-18-10-13-20/h2-7,18H,1,8-13H2,(H,19,21)/b7-4+
InChIKeyMFGIBGXZHYOLAE-QPJJXVBHSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600248
(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-[3-(4-ethylpiperazin-1-yl)propyl]prop-2-enamide
CID 110440061
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
CID 110440064
(E)-3-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600198
(E)-3-(2-fluorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide;dihydrochloride
CID 118480970
(E)-3-(4-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]prop-2-enamide
CID 39993399
3-(3-chlorophenyl)-N-[3-[4-[3-[3-(3-chlorophenyl)prop-2-enoylamino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 3586028
(E)-3-(4-chlorophenyl)-N-[5-[4-[3-(3,4-dichlorophenyl)prop-2-enoyl]piperazin-1-yl]pentyl]prop-2-enamide
CID 44529356
(E)-3-(4-nitrophenyl)-N-[3-[4-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6075459
(E)-3-(4-chlorophenyl)-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]prop-2-enamide
CID 82163347
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide (CID 43443260) is (E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)NCCCN1CCNCC1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide?
The InChIKey is MFGIBGXZHYOLAE-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-15-5-2-14(3-6-15)4-7-16(21)19-8-1-11-20-12-9-18-10-13-20/h2-7,18H,1,8-13H2,(H,19,21)/b7-4+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide has a molecular weight of 307.82 g/mol, XLogP of 1.76, 6 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-(3-piperazin-1-ylpropyl)prop-2-enamide is sourced from PubChem (CID 43443260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).