N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide

C15H23N3O2 — CID 106789288

IUPACN'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCOc1cc(CN2CCCC(C)C2)ccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O2/c1-11-4-3-7-18(9-11)10-12-5-6-13(15(16)17-19)14(8-12)20-2/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3,(H2,16,17)
InChIKeyRNWDGPRGQUQRRF-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.02
Rot. Bonds4

About N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide

N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 106789288) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID106789288
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCOc1cc(CN2CCCC(C)C2)ccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O2/c1-11-4-3-7-18(9-11)10-12-5-6-13(15(16)17-19)14(8-12)20-2/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3,(H2,16,17)
InChIKeyRNWDGPRGQUQRRF-UHFFFAOYSA-N
XLogP2.02
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]benzenecarboximidamide
CID 106789382
N'-hydroxy-2-methoxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 106789290
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790134
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065803
4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789334
4-[[cyclobutyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790084
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065866
4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106791816
N'-hydroxy-2-methoxy-5-(1,4-thiazepan-4-ylmethyl)benzenecarboximidamide
CID 77065920
N'-hydroxy-2-methoxy-5-(1,4-oxazepan-4-ylmethyl)benzenecarboximidamide
CID 77065748

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 106789288) is N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide is COc1cc(CN2CCCC(C)C2)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is RNWDGPRGQUQRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-4-3-7-18(9-11)10-12-5-6-13(15(16)17-19)14(8-12)20-2/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 106789288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).