(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone

C12H18N4O — CID 104642325

IUPAC(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(NN)cn1
InChIInChI=1S/C12H18N4O/c1-9-4-2-3-7-16(9)12(17)11-6-5-10(15-13)8-14-11/h5-6,8-9,15H,2-4,7,13H2,1H3
InChIKeyYVAJCVDGPGEQQX-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.38
Rot. Bonds2

About (5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone

(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 104642325) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID104642325
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(NN)cn1
InChIInChI=1S/C12H18N4O/c1-9-4-2-3-7-16(9)12(17)11-6-5-10(15-13)8-14-11/h5-6,8-9,15H,2-4,7,13H2,1H3
InChIKeyYVAJCVDGPGEQQX-UHFFFAOYSA-N
XLogP1.38
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
CID 104641464
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone
CID 104968896
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
N-(2,6-dimethylpiperidin-1-yl)-5-hydrazinylpyridine-2-carboxamide
CID 113436385
N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
CID 77005324
2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642424
[5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 104641770
(5-hydrazinyl-2-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 104642344
(2-hydrazinyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 62235741
[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135

Frequently Asked Questions

What is the IUPAC name of (5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone (CID 104642325) is (5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(NN)cn1.
What is the InChIKey of (5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is YVAJCVDGPGEQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-4-2-3-7-16(9)12(17)11-6-5-10(15-13)8-14-11/h5-6,8-9,15H,2-4,7,13H2,1H3.
What are the key properties of (5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 104642325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).