(2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride

C15H19ClN4O2 — CID 73335526

IUPAC(2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride
SMILESCl.N#C/C(=N\O)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H18N4O2.ClH/c16-10-14(18-21)15(20)17-13-6-8-19(9-7-13)11-12-4-2-1-3-5-12;/h1-5,13,21H,6-9,11H2,(H,17,20);1H/b18-14+;
InChIKeyNIUXKMROEMJNCL-LSJACRKWSA-N
MW322.80 g/mol
LogP1.54
Rot. Bonds4

About (2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride

(2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride (PubChem CID 73335526) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is (2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride.

Molecular Properties

Compound Name(2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride
PubChem CID73335526
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name(2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride
SMILESCl.N#C/C(=N\O)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H18N4O2.ClH/c16-10-14(18-21)15(20)17-13-6-8-19(9-7-13)11-12-4-2-1-3-5-12;/h1-5,13,21H,6-9,11H2,(H,17,20);1H/b18-14+;
InChIKeyNIUXKMROEMJNCL-LSJACRKWSA-N
XLogP1.54
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519242
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride?
The IUPAC name of (2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride (CID 73335526) is (2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride.
What is the SMILES notation for (2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride?
The canonical SMILES for (2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride is Cl.N#C/C(=N\O)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride?
The InChIKey is NIUXKMROEMJNCL-LSJACRKWSA-N. The full InChI is InChI=1S/C15H18N4O2.ClH/c16-10-14(18-21)15(20)17-13-6-8-19(9-7-13)11-12-4-2-1-3-5-12;/h1-5,13,21H,6-9,11H2,(H,17,20);1H/b18-14+;.
What are the key properties of (2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride?
(2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride is sourced from PubChem (CID 73335526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).