(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide

C16H19Cl2N5O — CID 108821772

IUPAC(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide
SMILESN#C/C(=C/NCCN1CCNCC1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N5O/c17-14-2-1-13(9-15(14)18)22-16(24)12(10-19)11-21-5-8-23-6-3-20-4-7-23/h1-2,9,11,20-21H,3-8H2,(H,22,24)/b12-11-
InChIKeyZUPNZYGVIFDNOD-QXMHVHEDSA-N
MW368.27 g/mol
LogP1.83
Rot. Bonds6

About (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide

(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide (PubChem CID 108821772) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide
PubChem CID108821772
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC Name(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide
SMILESN#C/C(=C/NCCN1CCNCC1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N5O/c17-14-2-1-13(9-15(14)18)22-16(24)12(10-19)11-21-5-8-23-6-3-20-4-7-23/h1-2,9,11,20-21H,3-8H2,(H,22,24)/b12-11-
InChIKeyZUPNZYGVIFDNOD-QXMHVHEDSA-N
XLogP1.83
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide
CID 108821769
(Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide
CID 108817294
(Z)-2-cyano-3-(2,4-dichloroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863687
(Z)-3-(2-acetamidoethylamino)-N-(3-chloro-4-methylphenyl)-2-cyanoprop-2-enamide
CID 108822276
(Z)-2-cyano-3-(4-iodoanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108864175
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)prop-2-enamide
CID 108821705
(Z)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethylamino)prop-2-enamide
CID 108838883
(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108822198
butyl 2-[[(Z)-2-cyano-3-(2-piperazin-1-ylethylamino)prop-2-enoyl]amino]benzoate
CID 108855976
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide
CID 108821717
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
CID 108821788
(Z)-2-cyano-3-(4-methoxyanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863685

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide (CID 108821772) is (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide is N#C/C(=C/NCCN1CCNCC1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide?
The InChIKey is ZUPNZYGVIFDNOD-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c17-14-2-1-13(9-15(14)18)22-16(24)12(10-19)11-21-5-8-23-6-3-20-4-7-23/h1-2,9,11,20-21H,3-8H2,(H,22,24)/b12-11-.
What are the key properties of (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide?
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide has a molecular weight of 368.27 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide is sourced from PubChem (CID 108821772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).