(3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide

C12H15N3O2 — CID 125449083

IUPAC(3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide
SMILESNC(=NO)[C@H]1CCC(=O)N(c2ccccc2)C1
InChIInChI=1S/C12H15N3O2/c13-12(14-17)9-6-7-11(16)15(8-9)10-4-2-1-3-5-10/h1-5,9,17H,6-8H2,(H2,13,14)/t9-/m0/s1
InChIKeyNBQRTMKSARTJAR-VIFPVBQESA-N
MW233.27 g/mol
LogP1.18
Rot. Bonds2

About (3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide

(3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide (PubChem CID 125449083) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide.

Molecular Properties

Compound Name(3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide
PubChem CID125449083
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide
SMILESNC(=NO)[C@H]1CCC(=O)N(c2ccccc2)C1
InChIInChI=1S/C12H15N3O2/c13-12(14-17)9-6-7-11(16)15(8-9)10-4-2-1-3-5-10/h1-5,9,17H,6-8H2,(H2,13,14)/t9-/m0/s1
InChIKeyNBQRTMKSARTJAR-VIFPVBQESA-N
XLogP1.18
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
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'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide
CID 138111840
(5S)-5-amino-1-phenylpiperidin-2-one
CID 91616936
1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62303043
1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 10422408
1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62302561
6-(aminomethyl)-1-phenylazepan-2-one
CID 84683954
1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid
CID 115379106
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
(3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide
CID 172908586
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 167011785

Frequently Asked Questions

What is the IUPAC name of (3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide?
The IUPAC name of (3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide (CID 125449083) is (3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide.
What is the SMILES notation for (3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide?
The canonical SMILES for (3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide is NC(=NO)[C@H]1CCC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide?
The InChIKey is NBQRTMKSARTJAR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O2/c13-12(14-17)9-6-7-11(16)15(8-9)10-4-2-1-3-5-10/h1-5,9,17H,6-8H2,(H2,13,14)/t9-/m0/s1.
What are the key properties of (3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide?
(3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide has a molecular weight of 233.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide is sourced from PubChem (CID 125449083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).