N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C15H22N4O2 — CID 83018949

IUPACN-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCC1CCCC(C)N1NC(=O)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C15H22N4O2/c1-10-5-3-6-11(2)19(10)17-15(20)13-8-4-7-12(9-13)14(16)18-21/h4,7-11,21H,3,5-6H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyOVVBZVLATNQZKZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.69
Rot. Bonds3

About N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 83018949) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID83018949
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCC1CCCC(C)N1NC(=O)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C15H22N4O2/c1-10-5-3-6-11(2)19(10)17-15(20)13-8-4-7-12(9-13)14(16)18-21/h4,7-11,21H,3,5-6H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyOVVBZVLATNQZKZ-UHFFFAOYSA-N
XLogP1.69
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-(2,6-dimethylpiperidin-1-yl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 83018836
3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide
CID 76993606
3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide
CID 83023360
N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43298902
N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 77054227
N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43371334
N-(2,6-dimethylpiperidin-1-yl)-4-hydroxybenzamide
CID 78909911
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
CID 104959807
2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
CID 78907821
N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-6-carboxamide
CID 83023464
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156107

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 83018949) is N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is CC1CCCC(C)N1NC(=O)c1cccc(/C(N)=N/O)c1.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is OVVBZVLATNQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-5-3-6-11(2)19(10)17-15(20)13-8-4-7-12(9-13)14(16)18-21/h4,7-11,21H,3,5-6H2,1-2H3,(H2,16,18)(H,17,20).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 290.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 83018949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).