(NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine

C18H20N4O3 — CID 44613135

IUPAC(NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C18H20N4O3/c23-20-18(15-2-1-5-19-11-15)22-8-6-21(7-9-22)12-14-3-4-16-17(10-14)25-13-24-16/h1-5,10-11,23H,6-9,12-13H2/b20-18-
InChIKeyLTYAZPUTCSCCBV-ZZEZOPTASA-N
MW340.38 g/mol
LogP1.76
Rot. Bonds3

About (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine

(NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine (PubChem CID 44613135) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine
PubChem CID44613135
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C18H20N4O3/c23-20-18(15-2-1-5-19-11-15)22-8-6-21(7-9-22)12-14-3-4-16-17(10-14)25-13-24-16/h1-5,10-11,23H,6-9,12-13H2/b20-18-
InChIKeyLTYAZPUTCSCCBV-ZZEZOPTASA-N
XLogP1.76
TPSA70.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 23971811
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-2-ylmethanethione
CID 134106756
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 110854152
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,2-thiazol-5-yl)methanone
CID 110692139
4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carbothioamide
CID 2260888
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,2-oxazol-4-yl)methanone
CID 110854108
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086679
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
CID 3318786
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 15055623
(6-amino-3-pyridinyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone
CID 110854155
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;chloride;hydrate
CID 45114229

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine (CID 44613135) is (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine is O/N=C(/c1cccnc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine?
The InChIKey is LTYAZPUTCSCCBV-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H20N4O3/c23-20-18(15-2-1-5-19-11-15)22-8-6-21(7-9-22)12-14-3-4-16-17(10-14)25-13-24-16/h1-5,10-11,23H,6-9,12-13H2/b20-18-.
What are the key properties of (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine?
(NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine has a molecular weight of 340.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethylidene]hydroxylamine is sourced from PubChem (CID 44613135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).