N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide

C13H17FN4O2 — CID 77041701

IUPACN-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
SMILESNC(=NO)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C13H17FN4O2/c14-10-5-1-2-6-11(10)16-13(19)18-7-3-4-9(8-18)12(15)17-20/h1-2,5-6,9,20H,3-4,7-8H2,(H2,15,17)(H,16,19)
InChIKeyHWWRGVWWTQPSKP-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.82
Rot. Bonds2

About N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide

N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide (PubChem CID 77041701) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
PubChem CID77041701
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC NameN-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
SMILESNC(=NO)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C13H17FN4O2/c14-10-5-1-2-6-11(10)16-13(19)18-7-3-4-9(8-18)12(15)17-20/h1-2,5-6,9,20H,3-4,7-8H2,(H2,15,17)(H,16,19)
InChIKeyHWWRGVWWTQPSKP-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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

(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
CID 119577627
(2R,3R)-1-[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115369
3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 119350889
3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119614252
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 51950903
N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide
CID 79156097
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 119435464
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119598315

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide (CID 77041701) is N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide is NC(=NO)C1CCCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide?
The InChIKey is HWWRGVWWTQPSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c14-10-5-1-2-6-11(10)16-13(19)18-7-3-4-9(8-18)12(15)17-20/h1-2,5-6,9,20H,3-4,7-8H2,(H2,15,17)(H,16,19).
What are the key properties of N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide?
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide is sourced from PubChem (CID 77041701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).