N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine

C25H36FN5 — CID 89331506

IUPACN,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine
SMILESC=C(/C(C1=CC(C)NC=C1)=C(\NN)N1CCC(N(CC)CC)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H36FN5/c1-5-30(6-2)23-12-15-31(16-13-23)25(29-27)24(21-11-14-28-18(3)17-21)19(4)20-7-9-22(26)10-8-20/h7-11,14,17-18,23,28-29H,4-6,12-13,15-16,27H2,1-3H3/b25-24-
InChIKeyZWYFZBIASXUNKM-IZHYLOQSSA-N
MW425.60 g/mol
LogP3.75
Rot. Bonds8

About N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine

N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine (PubChem CID 89331506) has the molecular formula C25H36FN5 and a molecular weight of 425.60 g/mol. Its IUPAC name is N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine
PubChem CID89331506
Molecular FormulaC25H36FN5
Molecular Weight425.60 g/mol
Exact Mass425.30
IUPAC NameN,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine
SMILESC=C(/C(C1=CC(C)NC=C1)=C(\NN)N1CCC(N(CC)CC)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H36FN5/c1-5-30(6-2)23-12-15-31(16-13-23)25(29-27)24(21-11-14-28-18(3)17-21)19(4)20-7-9-22(26)10-8-20/h7-11,14,17-18,23,28-29H,4-6,12-13,15-16,27H2,1-3H3/b25-24-
InChIKeyZWYFZBIASXUNKM-IZHYLOQSSA-N
XLogP3.75
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine?
The IUPAC name of N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine (CID 89331506) is N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine.
What is the SMILES notation for N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine?
The canonical SMILES for N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine is C=C(/C(C1=CC(C)NC=C1)=C(\NN)N1CCC(N(CC)CC)CC1)c1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine?
The InChIKey is ZWYFZBIASXUNKM-IZHYLOQSSA-N. The full InChI is InChI=1S/C25H36FN5/c1-5-30(6-2)23-12-15-31(16-13-23)25(29-27)24(21-11-14-28-18(3)17-21)19(4)20-7-9-22(26)10-8-20/h7-11,14,17-18,23,28-29H,4-6,12-13,15-16,27H2,1-3H3/b25-24-.
What are the key properties of N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine?
N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine has a molecular weight of 425.60 g/mol, XLogP of 3.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine is sourced from PubChem (CID 89331506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).