N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide

C13H17FN4O2 — CID 79156097

IUPACN-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide
SMILESNC(=NO)c1c(F)cccc1NC(=O)N1CCCCC1
InChIInChI=1S/C13H17FN4O2/c14-9-5-4-6-10(11(9)12(15)17-20)16-13(19)18-7-2-1-3-8-18/h4-6,20H,1-3,7-8H2,(H2,15,17)(H,16,19)
InChIKeyNCTURZSKXVOLRI-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.94
Rot. Bonds2

About N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide

N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide (PubChem CID 79156097) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide
PubChem CID79156097
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC NameN-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide
SMILESNC(=NO)c1c(F)cccc1NC(=O)N1CCCCC1
InChIInChI=1S/C13H17FN4O2/c14-9-5-4-6-10(11(9)12(15)17-20)16-13(19)18-7-2-1-3-8-18/h4-6,20H,1-3,7-8H2,(H2,15,17)(H,16,19)
InChIKeyNCTURZSKXVOLRI-UHFFFAOYSA-N
XLogP1.94
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide
CID 75433885
N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]thiolane-2-carboxamide
CID 77021578
N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]oxane-4-carboxamide
CID 76977160
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylpiperidine-1-carboxamide
CID 107800956
2-chloro-6-(piperidine-1-carbonylamino)benzoic acid
CID 63722614
N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 78954561
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
CID 79161056
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]azepane-1-carboxamide
CID 107809995
N-(2-carbamimidoyl-3-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79162888
N-[4-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
CID 79161552
N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
CID 81310935

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide (CID 79156097) is N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide is NC(=NO)c1c(F)cccc1NC(=O)N1CCCCC1.
What is the InChIKey of N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is NCTURZSKXVOLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c14-9-5-4-6-10(11(9)12(15)17-20)16-13(19)18-7-2-1-3-8-18/h4-6,20H,1-3,7-8H2,(H2,15,17)(H,16,19).
What are the key properties of N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide?
N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 79156097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).