(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide

C24H28N4O — CID 108820196

IUPAC(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H28N4O/c1-2-13-26-24(29)22(18-25)19-27-14-16-28(17-15-27)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,23H,2,13-17H2,1H3,(H,26,29)/b22-19-
InChIKeyFUXDYTAAFPRZER-QOCHGBHMSA-N
MW388.52 g/mol
LogP3.33
Rot. Bonds7

About (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide

(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide (PubChem CID 108820196) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide
PubChem CID108820196
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H28N4O/c1-2-13-26-24(29)22(18-25)19-27-14-16-28(17-15-27)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,23H,2,13-17H2,1H3,(H,26,29)/b22-19-
InChIKeyFUXDYTAAFPRZER-QOCHGBHMSA-N
XLogP3.33
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-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

(Z)-3-(4-benzhydrylpiperazin-1-yl)-N-(2-chloroethyl)-2-cyanoprop-2-enamide
CID 108854399
ethyl (E)-3-(4-benzhydrylpiperazin-1-yl)-2-cyanoprop-2-enoate
CID 17154981
(Z)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyano-N-propylprop-2-enamide
CID 108820512
(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820568
(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827279
(Z)-N-(4-acetylphenyl)-3-(4-benzhydrylpiperazin-1-yl)-2-cyanoprop-2-enamide
CID 108856264
(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 108822433
(Z)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylprop-2-enamide
CID 108820341
2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide
CID 71946765
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 108844338
methyl 4-[(Z)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]piperazine-1-carboxylate
CID 108820514

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide?
The IUPAC name of (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide (CID 108820196) is (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide?
The canonical SMILES for (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide?
The InChIKey is FUXDYTAAFPRZER-QOCHGBHMSA-N. The full InChI is InChI=1S/C24H28N4O/c1-2-13-26-24(29)22(18-25)19-27-14-16-28(17-15-27)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,23H,2,13-17H2,1H3,(H,26,29)/b22-19-.
What are the key properties of (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide?
(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide has a molecular weight of 388.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide is sourced from PubChem (CID 108820196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).