N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide

C14H19N3O2 — CID 79155365

IUPACN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide
SMILESCC(=NO)c1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H19N3O2/c1-11(16-19)12-5-7-13(8-6-12)15-14(18)17-9-3-2-4-10-17/h5-8,19H,2-4,9-10H2,1H3,(H,15,18)
InChIKeyDENGVAVSKWPEDA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.90
Rot. Bonds2

About N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide

N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide (PubChem CID 79155365) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide
PubChem CID79155365
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide
SMILESCC(=NO)c1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H19N3O2/c1-11(16-19)12-5-7-13(8-6-12)15-14(18)17-9-3-2-4-10-17/h5-8,19H,2-4,9-10H2,1H3,(H,15,18)
InChIKeyDENGVAVSKWPEDA-UHFFFAOYSA-N
XLogP2.90
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
CID 79161552
4-(pyrrolidine-1-carbonylamino)benzoic acid
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N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide
CID 110178664
N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 47198823
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
propyl 4-(piperidine-1-carbonylamino)benzoate
CID 79156721
N-[4-[(2-methylsulfanylacetyl)amino]phenyl]azepane-1-carboxamide
CID 60608362
N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61339985
N-[4-(but-2-ynoylamino)phenyl]azepane-1-carboxamide
CID 166405399
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide (CID 79155365) is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide is CC(=NO)c1ccc(NC(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is DENGVAVSKWPEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(16-19)12-5-7-13(8-6-12)15-14(18)17-9-3-2-4-10-17/h5-8,19H,2-4,9-10H2,1H3,(H,15,18).
What are the key properties of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide?
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 79155365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).