[(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide

C12H22N5O2- — CID 59123598

IUPAC[(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide
SMILESCCCCNC(=O)C1CCN(CO/C=N/N=[N-])CC1
InChIInChI=1S/C12H22N5O2/c1-2-3-6-14-12(18)11-4-7-17(8-5-11)10-19-9-15-16-13/h9,11H,2-8,10H2,1H3,(H,14,18)/q-1/b15-9+
InChIKeyRRDVAWUAWYBPFU-OQLLNIDSSA-N
MW268.34 g/mol
LogP1.55
Rot. Bonds8

About [(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide

[(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide (PubChem CID 59123598) has the molecular formula C12H22N5O2- and a molecular weight of 268.34 g/mol. Its IUPAC name is [(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide.

Molecular Properties

Compound Name[(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide
PubChem CID59123598
Molecular FormulaC12H22N5O2-
Molecular Weight268.34 g/mol
Exact Mass268.18
IUPAC Name[(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide
SMILESCCCCNC(=O)C1CCN(CO/C=N/N=[N-])CC1
InChIInChI=1S/C12H22N5O2/c1-2-3-6-14-12(18)11-4-7-17(8-5-11)10-19-9-15-16-13/h9,11H,2-8,10H2,1H3,(H,14,18)/q-1/b15-9+
InChIKeyRRDVAWUAWYBPFU-OQLLNIDSSA-N
XLogP1.55
TPSA88.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55911947
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 54039617
N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119930290
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
(E)-4-[4-(butylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60948862
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
CID 3216036

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide?
The IUPAC name of [(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide (CID 59123598) is [(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide.
What is the SMILES notation for [(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide?
The canonical SMILES for [(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide is CCCCNC(=O)C1CCN(CO/C=N/N=[N-])CC1.
What is the InChIKey of [(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide?
The InChIKey is RRDVAWUAWYBPFU-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H22N5O2/c1-2-3-6-14-12(18)11-4-7-17(8-5-11)10-19-9-15-16-13/h9,11H,2-8,10H2,1H3,(H,14,18)/q-1/b15-9+.
What are the key properties of [(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide?
[(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide has a molecular weight of 268.34 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide is sourced from PubChem (CID 59123598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).