(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride

C15H22ClN3O2 — CID 73335428

IUPAC(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride
SMILESCl.O=C(/C=N/O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21N3O2.ClH/c19-15(11-17-20)16-10-13-6-8-18(9-7-13)12-14-4-2-1-3-5-14;/h1-5,11,13,20H,6-10,12H2,(H,16,19);1H/b17-11+;
InChIKeyGBQMBPLVUATXPK-SJDTYFKWSA-N
MW311.81 g/mol
LogP1.90
Rot. Bonds5

About (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride

(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride (PubChem CID 73335428) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride.

Molecular Properties

Compound Name(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride
PubChem CID73335428
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride
SMILESCl.O=C(/C=N/O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21N3O2.ClH/c19-15(11-17-20)16-10-13-6-8-18(9-7-13)12-14-4-2-1-3-5-14;/h1-5,11,13,20H,6-10,12H2,(H,16,19);1H/b17-11+;
InChIKeyGBQMBPLVUATXPK-SJDTYFKWSA-N
XLogP1.90
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)methyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 136579148
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119864228
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride?
The IUPAC name of (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride (CID 73335428) is (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride.
What is the SMILES notation for (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride?
The canonical SMILES for (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride is Cl.O=C(/C=N/O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride?
The InChIKey is GBQMBPLVUATXPK-SJDTYFKWSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c19-15(11-17-20)16-10-13-6-8-18(9-7-13)12-14-4-2-1-3-5-14;/h1-5,11,13,20H,6-10,12H2,(H,16,19);1H/b17-11+;.
What are the key properties of (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride?
(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride is sourced from PubChem (CID 73335428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).