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

C13H19N5O3 — CID 63571322

IUPAC1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
SMILESCc1cc(=O)n(CC(=O)N2CCC(C(=O)NN)CC2)cn1
InChIInChI=1S/C13H19N5O3/c1-9-6-11(19)18(8-15-9)7-12(20)17-4-2-10(3-5-17)13(21)16-14/h6,8,10H,2-5,7,14H2,1H3,(H,16,21)
InChIKeyPYUKWRUEFXUOML-UHFFFAOYSA-N
MW293.33 g/mol
LogP-1.22
Rot. Bonds3

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

1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide (PubChem CID 63571322) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
PubChem CID63571322
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
SMILESCc1cc(=O)n(CC(=O)N2CCC(C(=O)NN)CC2)cn1
InChIInChI=1S/C13H19N5O3/c1-9-6-11(19)18(8-15-9)7-12(20)17-4-2-10(3-5-17)13(21)16-14/h6,8,10H,2-5,7,14H2,1H3,(H,16,21)
InChIKeyPYUKWRUEFXUOML-UHFFFAOYSA-N
XLogP-1.22
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-1.22
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(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535013
1-(2-(6-oxo-4-propylpyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535176
1-(2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535336
1-[2-(2-Methyl-6-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
CID 63577083
1-[2-(6-Oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63795440
1-[2-(5-Iodo-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 66308880
1-(2-(4-butyl-6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 121063627
1-(2-(4-ethyl-6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 121064278
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide
CID 136668699

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide (CID 63571322) is 1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide is Cc1cc(=O)n(CC(=O)N2CCC(C(=O)NN)CC2)cn1.
What is the InChIKey of 1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is PYUKWRUEFXUOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-9-6-11(19)18(8-15-9)7-12(20)17-4-2-10(3-5-17)13(21)16-14/h6,8,10H,2-5,7,14H2,1H3,(H,16,21).
What are the key properties of 1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide?
1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 293.33 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63571322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).