N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide

C23H30N4O — CID 142966960

IUPACN,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NN)cc1
InChIInChI=1S/C23H30N4O/c1-3-27(4-2)23(28)19-11-9-17(10-12-19)22(18-13-15-25-16-14-18)20-7-5-6-8-21(20)26-24/h5-12,25-26H,3-4,13-16,24H2,1-2H3
InChIKeyBTMIRNYHGVROJB-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.64
Rot. Bonds6

About N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide

N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide (PubChem CID 142966960) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide
PubChem CID142966960
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NN)cc1
InChIInChI=1S/C23H30N4O/c1-3-27(4-2)23(28)19-11-9-17(10-12-19)22(18-13-15-25-16-14-18)20-7-5-6-8-21(20)26-24/h5-12,25-26H,3-4,13-16,24H2,1-2H3
InChIKeyBTMIRNYHGVROJB-UHFFFAOYSA-N
XLogP3.64
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide (CID 142966960) is N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NN)cc1.
What is the InChIKey of N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide?
The InChIKey is BTMIRNYHGVROJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-3-27(4-2)23(28)19-11-9-17(10-12-19)22(18-13-15-25-16-14-18)20-7-5-6-8-21(20)26-24/h5-12,25-26H,3-4,13-16,24H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide?
N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide is sourced from PubChem (CID 142966960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).