(Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide

C24H25N5O6 — CID 92966725

IUPAC(Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
SMILESO=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C24H25N5O6/c30-23(11-5-19-1-7-21(8-2-19)28(32)33)25-13-14-26-15-17-27(18-16-26)24(31)12-6-20-3-9-22(10-4-20)29(34)35/h1-12H,13-18H2,(H,25,30)/b11-5-,12-6-
InChIKeyLGKWLDSACSTQFE-CBIKUMSCSA-N
MW479.49 g/mol
LogP2.49
Rot. Bonds9

About (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide

(Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide (PubChem CID 92966725) has the molecular formula C24H25N5O6 and a molecular weight of 479.49 g/mol. Its IUPAC name is (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
PubChem CID92966725
Molecular FormulaC24H25N5O6
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name(Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
SMILESO=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C24H25N5O6/c30-23(11-5-19-1-7-21(8-2-19)28(32)33)25-13-14-26-15-17-27(18-16-26)24(31)12-6-20-3-9-22(10-4-20)29(34)35/h1-12H,13-18H2,(H,25,30)/b11-5-,12-6-
InChIKeyLGKWLDSACSTQFE-CBIKUMSCSA-N
XLogP2.49
TPSA138.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2166442
4-fluoro-N-[2-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]benzamide
CID 29200385
3-(4-methylphenyl)-N-[2-[4-[3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 2932518
1-(4-ethylpiperazin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 898287
(Z)-3-(4-methoxyphenyl)-N-[2-[4-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 92903724
3-(4-methoxyphenyl)-N-[2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 1008919
3-(4-nitrophenyl)-1-[4-[3-(4-nitrophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 3609478
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038
2-[2-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 5341912
(E)-3-thiophen-2-yl-N-[2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 2316494
(E)-3-(4-nitrophenyl)-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]prop-2-enamide
CID 90613842

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide?
The IUPAC name of (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide (CID 92966725) is (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide is O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide?
The InChIKey is LGKWLDSACSTQFE-CBIKUMSCSA-N. The full InChI is InChI=1S/C24H25N5O6/c30-23(11-5-19-1-7-21(8-2-19)28(32)33)25-13-14-26-15-17-27(18-16-26)24(31)12-6-20-3-9-22(10-4-20)29(34)35/h1-12H,13-18H2,(H,25,30)/b11-5-,12-6-.
What are the key properties of (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide?
(Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide has a molecular weight of 479.49 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 92966725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).