1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide

C16H16Cl3N5O — CID 51113453

IUPAC1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C16H16Cl3N5O/c17-11-6-12(18)15(13(19)7-11)22-23-16(25)10-2-1-5-24(9-10)14-8-20-3-4-21-14/h3-4,6-8,10,22H,1-2,5,9H2,(H,23,25)
InChIKeyVYGKMHQOUSPKPQ-UHFFFAOYSA-N
MW400.70 g/mol
LogP3.80
Rot. Bonds4

About 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide

1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide (PubChem CID 51113453) has the molecular formula C16H16Cl3N5O and a molecular weight of 400.70 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide
PubChem CID51113453
Molecular FormulaC16H16Cl3N5O
Molecular Weight400.70 g/mol
Exact Mass399.04
IUPAC Name1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C16H16Cl3N5O/c17-11-6-12(18)15(13(19)7-11)22-23-16(25)10-2-1-5-24(9-10)14-8-20-3-4-21-14/h3-4,6-8,10,22H,1-2,5,9H2,(H,23,25)
InChIKeyVYGKMHQOUSPKPQ-UHFFFAOYSA-N
XLogP3.80
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.70
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide 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

N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632049
(3S)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632050
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
CID 46573281
(3R)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950210

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide?
The IUPAC name of 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide (CID 51113453) is 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide.
What is the SMILES notation for 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide?
The canonical SMILES for 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide is O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCCN(c2cnccn2)C1.
What is the InChIKey of 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide?
The InChIKey is VYGKMHQOUSPKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N5O/c17-11-6-12(18)15(13(19)7-11)22-23-16(25)10-2-1-5-24(9-10)14-8-20-3-4-21-14/h3-4,6-8,10,22H,1-2,5,9H2,(H,23,25).
What are the key properties of 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide?
1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide has a molecular weight of 400.70 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 51113453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).