N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide

C18H21N5O2 — CID 3223137

IUPACN'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O2/c24-16(13-14-5-2-1-3-6-14)21-22-17(25)15-7-11-23(12-8-15)18-19-9-4-10-20-18/h1-6,9-10,15H,7-8,11-13H2,(H,21,24)(H,22,25)
InChIKeyVWBZPMDYLZDESQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.08
Rot. Bonds4

About N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide

N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (PubChem CID 3223137) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
PubChem CID3223137
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O2/c24-16(13-14-5-2-1-3-6-14)21-22-17(25)15-7-11-23(12-8-15)18-19-9-4-10-20-18/h1-6,9-10,15H,7-8,11-13H2,(H,21,24)(H,22,25)
InChIKeyVWBZPMDYLZDESQ-UHFFFAOYSA-N
XLogP1.08
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-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'-(5-chloro-2-cyanopyrimidin-4-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(2-methylpropyl)acetohydrazide
CID 46914344
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 46914478
2-(4-isobutylphenyl)-N-(2-pyrimidinyl)propanamide
CID 4462928
N'-(5-bromo-2-cyanopyrimidin-4-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(2-methylpropyl)acetohydrazide
CID 46914343
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2-ethyl-phenyl)-amide
CID 3221260
N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide
CID 3223146
N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide
CID 3223212
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid N'-(2-methyl-benzoyl)-hydrazide
CID 24792381
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid N'-(4-methyl-benzoyl)-hydrazide
CID 24792683
N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide
CID 1109397
N-{[1-(3-phenylpropanoyl)piperidin-4-yl]methyl}pyrimidin-2-amine
CID 16109399
1-[4-(4-Methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 46907685

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (CID 3223137) is N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is O=C(Cc1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The InChIKey is VWBZPMDYLZDESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16(13-14-5-2-1-3-6-14)21-22-17(25)15-7-11-23(12-8-15)18-19-9-4-10-20-18/h1-6,9-10,15H,7-8,11-13H2,(H,21,24)(H,22,25).
What are the key properties of N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide has a molecular weight of 339.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylacetyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is sourced from PubChem (CID 3223137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).