3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide

C13H18N4O2 — CID 83023360

IUPAC3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide
SMILESN/C(=N/O)c1cccc(C(=O)NN2CCCCC2)c1
InChIInChI=1S/C13H18N4O2/c14-12(16-19)10-5-4-6-11(9-10)13(18)15-17-7-2-1-3-8-17/h4-6,9,19H,1-3,7-8H2,(H2,14,16)(H,15,18)
InChIKeyFTWGELNCBPQYNM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.91
Rot. Bonds3

About 3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide

3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide (PubChem CID 83023360) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide
PubChem CID83023360
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide
SMILESN/C(=N/O)c1cccc(C(=O)NN2CCCCC2)c1
InChIInChI=1S/C13H18N4O2/c14-12(16-19)10-5-4-6-11(9-10)13(18)15-17-7-2-1-3-8-17/h4-6,9,19H,1-3,7-8H2,(H2,14,16)(H,15,18)
InChIKeyFTWGELNCBPQYNM-UHFFFAOYSA-N
XLogP0.91
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.91
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)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 83018949
3-chloro-N-pyrrolidin-1-ylbenzamide
CID 54164805
N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43371334
N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43298902
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide
CID 76993606
N-piperidin-1-yl-3H-benzimidazole-5-carboxamide
CID 69436503
ethane;methyl 3-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 143509300
3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 142150262
tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate
CID 9272226
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43581926

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide?
The IUPAC name of 3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide (CID 83023360) is 3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide is N/C(=N/O)c1cccc(C(=O)NN2CCCCC2)c1.
What is the InChIKey of 3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide?
The InChIKey is FTWGELNCBPQYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-12(16-19)10-5-4-6-11(9-10)13(18)15-17-7-2-1-3-8-17/h4-6,9,19H,1-3,7-8H2,(H2,14,16)(H,15,18).
What are the key properties of 3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide?
3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 83023360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).