1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide

C12H16N4O2 — CID 54794112

IUPAC1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C12H16N4O2/c13-15-11(17)9-3-6-16(7-4-9)12(18)10-2-1-5-14-8-10/h1-2,5,8-9H,3-4,6-7,13H2,(H,15,17)
InChIKeyOCNYTJPZDXNPLB-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.08
Rot. Bonds2

About 1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide

1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide (PubChem CID 54794112) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
PubChem CID54794112
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C12H16N4O2/c13-15-11(17)9-3-6-16(7-4-9)12(18)10-2-1-5-14-8-10/h1-2,5,8-9H,3-4,6-7,13H2,(H,15,17)
InChIKeyOCNYTJPZDXNPLB-UHFFFAOYSA-N
XLogP-0.08
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 37070969
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 36982143
N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39499134
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39613287
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616

Frequently Asked Questions

What is the IUPAC name of 1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide (CID 54794112) is 1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is OCNYTJPZDXNPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-15-11(17)9-3-6-16(7-4-9)12(18)10-2-1-5-14-8-10/h1-2,5,8-9H,3-4,6-7,13H2,(H,15,17).
What are the key properties of 1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide?
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 248.29 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 54794112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).