N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide

C17H19N5O2 — CID 3223145

IUPACN'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C17H19N5O2/c23-15(13-5-2-1-3-6-13)20-21-16(24)14-7-11-22(12-8-14)17-18-9-4-10-19-17/h1-6,9-10,14H,7-8,11-12H2,(H,20,23)(H,21,24)
InChIKeyAWVKCDSFHOLILN-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.15
Rot. Bonds3

About N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide

N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (PubChem CID 3223145) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
PubChem CID3223145
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C17H19N5O2/c23-15(13-5-2-1-3-6-13)20-21-16(24)14-7-11-22(12-8-14)17-18-9-4-10-19-17/h1-6,9-10,14H,7-8,11-12H2,(H,20,23)(H,21,24)
InChIKeyAWVKCDSFHOLILN-UHFFFAOYSA-N
XLogP1.15
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 23544069
N'-(cyclopropanecarbonyl)-4-phenylbenzohydrazide
CID 833146
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428
N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 3223132
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide
CID 3223274
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide
CID 17429033
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The IUPAC name of N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (CID 3223145) is N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The InChIKey is AWVKCDSFHOLILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-15(13-5-2-1-3-6-13)20-21-16(24)14-7-11-22(12-8-14)17-18-9-4-10-19-17/h1-6,9-10,14H,7-8,11-12H2,(H,20,23)(H,21,24).
What are the key properties of N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide has a molecular weight of 325.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is sourced from PubChem (CID 3223145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).