(E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide

C17H28N4O3 — CID 2390057

IUPAC(E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide
SMILESC/C(=C\C(=O)NC1CCCCC1)NNC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C17H28N4O3/c1-13(12-15(22)18-14-8-4-2-5-9-14)19-20-16(23)17(24)21-10-6-3-7-11-21/h12,14,19H,2-11H2,1H3,(H,18,22)(H,20,23)/b13-12+
InChIKeyOLBHRCXYIZBXEW-OUKQBFOZSA-N
MW336.44 g/mol
LogP0.97
Rot. Bonds4

About (E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide

(E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide (PubChem CID 2390057) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide
PubChem CID2390057
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide
SMILESC/C(=C\C(=O)NC1CCCCC1)NNC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C17H28N4O3/c1-13(12-15(22)18-14-8-4-2-5-9-14)19-20-16(23)17(24)21-10-6-3-7-11-21/h12,14,19H,2-11H2,1H3,(H,18,22)(H,20,23)/b13-12+
InChIKeyOLBHRCXYIZBXEW-OUKQBFOZSA-N
XLogP0.97
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-((1r,4r)-4-ammocyclohexyl)-3-hydroxy-1-methyl-1H-pyrazole-5-carboxamide
CID 132227806
3-hydroxy-1-methyl-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 132227815
(E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide
CID 2302900
(Z)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide
CID 5680399
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,6-dimethylpiperidin-1-yl)acetamide
CID 83013190
2-cyclohexyl-5-(methylaminomethyl)-1H-pyrazol-3-one
CID 83884640
3-methyl-1-(piperidin-2-ylmethyl)-1H-pyrazol-5-ol
CID 84720578
N-cyclohexyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466311
5-(2-Methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 108466356
5-(2-Ethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 108466357
5-(2,6-Dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 110600685
5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430821

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide (CID 2390057) is (E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide is C/C(=C\C(=O)NC1CCCCC1)NNC(=O)C(=O)N1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide?
The InChIKey is OLBHRCXYIZBXEW-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(12-15(22)18-14-8-4-2-5-9-14)19-20-16(23)17(24)21-10-6-3-7-11-21/h12,14,19H,2-11H2,1H3,(H,18,22)(H,20,23)/b13-12+.
What are the key properties of (E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide?
(E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide is sourced from PubChem (CID 2390057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).