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

C14H21N5O2 — CID 23544069

IUPACN'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESCCCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H21N5O2/c1-2-4-12(20)17-18-13(21)11-5-9-19(10-6-11)14-15-7-3-8-16-14/h3,7-8,11H,2,4-6,9-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyFCBHYTDWZKYAQL-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.64
Rot. Bonds4

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

N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (PubChem CID 23544069) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
PubChem CID23544069
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESCCCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H21N5O2/c1-2-4-12(20)17-18-13(21)11-5-9-19(10-6-11)14-15-7-3-8-16-14/h3,7-8,11H,2,4-6,9-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyFCBHYTDWZKYAQL-UHFFFAOYSA-N
XLogP0.64
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The IUPAC name of N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (CID 23544069) is N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is CCCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The InChIKey is FCBHYTDWZKYAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-4-12(20)17-18-13(21)11-5-9-19(10-6-11)14-15-7-3-8-16-14/h3,7-8,11H,2,4-6,9-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide has a molecular weight of 291.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is sourced from PubChem (CID 23544069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).