1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide

C12H17N5O3 — CID 63795440

IUPAC1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)Cn2cnccc2=O)CC1
InChIInChI=1S/C12H17N5O3/c13-15-12(20)9-2-5-16(6-3-9)11(19)7-17-8-14-4-1-10(17)18/h1,4,8-9H,2-3,5-7,13H2,(H,15,20)
InChIKeyZNWBGXBUAVQAOS-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.53
Rot. Bonds3

About 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide

1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide (PubChem CID 63795440) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
PubChem CID63795440
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)Cn2cnccc2=O)CC1
InChIInChI=1S/C12H17N5O3/c13-15-12(20)9-2-5-16(6-3-9)11(19)7-17-8-14-4-1-10(17)18/h1,4,8-9H,2-3,5-7,13H2,(H,15,20)
InChIKeyZNWBGXBUAVQAOS-UHFFFAOYSA-N
XLogP-1.53
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63571322
1-[2-(5-Iodo-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 66308880
1-[2-(5-Bromo-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 66310005
1-(2-(6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 121064099

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide (CID 63795440) is 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)Cn2cnccc2=O)CC1.
What is the InChIKey of 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is ZNWBGXBUAVQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c13-15-12(20)9-2-5-16(6-3-9)11(19)7-17-8-14-4-1-10(17)18/h1,4,8-9H,2-3,5-7,13H2,(H,15,20).
What are the key properties of 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide?
1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 279.30 g/mol, XLogP of -1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63795440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).