N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide

C21H24N4O — CID 60602674

IUPACN'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESN#Cc1ccccc1CO/N=C(/N)c1ccccc1CN1CCCCC1
InChIInChI=1S/C21H24N4O/c22-14-17-8-2-3-10-19(17)16-26-24-21(23)20-11-5-4-9-18(20)15-25-12-6-1-7-13-25/h2-5,8-11H,1,6-7,12-13,15-16H2,(H2,23,24)
InChIKeyKVDVHPLHHUOGSZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.38
Rot. Bonds6

About N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide

N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide (PubChem CID 60602674) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
PubChem CID60602674
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESN#Cc1ccccc1CO/N=C(/N)c1ccccc1CN1CCCCC1
InChIInChI=1S/C21H24N4O/c22-14-17-8-2-3-10-19(17)16-26-24-21(23)20-11-5-4-9-18(20)15-25-12-6-1-7-13-25/h2-5,8-11H,1,6-7,12-13,15-16H2,(H2,23,24)
InChIKeyKVDVHPLHHUOGSZ-UHFFFAOYSA-N
XLogP3.38
TPSA74.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 78905688
2-[2-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24725297
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 52502701
4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 2893154
2-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 31033858
N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide
CID 76877830
2-[(4-sulfanylpiperazin-1-yl)methyl]benzonitrile
CID 135177597
N'-[(2-cyanophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877864
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate
CID 10891589
(2-cyanophenyl)methyl carbamate
CID 66644204

Frequently Asked Questions

What is the IUPAC name of N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide (CID 60602674) is N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide is N#Cc1ccccc1CO/N=C(/N)c1ccccc1CN1CCCCC1.
What is the InChIKey of N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
The InChIKey is KVDVHPLHHUOGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-14-17-8-2-3-10-19(17)16-26-24-21(23)20-11-5-4-9-18(20)15-25-12-6-1-7-13-25/h2-5,8-11H,1,6-7,12-13,15-16H2,(H2,23,24).
What are the key properties of N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide has a molecular weight of 348.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 60602674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).