amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium

C12H16N3O2+ — CID 173116156

IUPACamino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium
SMILESN[N+](=O)c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C12H16N3O2/c13-15(17)11-6-4-10(5-7-11)12(16)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H2,13,17)/q+1
InChIKeySDLSTXYKUKGXNP-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.60
Rot. Bonds2

About amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium

amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium (PubChem CID 173116156) has the molecular formula C12H16N3O2+ and a molecular weight of 234.28 g/mol. Its IUPAC name is amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium.

Molecular Properties

Compound Nameamino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium
PubChem CID173116156
Molecular FormulaC12H16N3O2+
Molecular Weight234.28 g/mol
Exact Mass234.12
IUPAC Nameamino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium
SMILESN[N+](=O)c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C12H16N3O2/c13-15(17)11-6-4-10(5-7-11)12(16)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H2,13,17)/q+1
InChIKeySDLSTXYKUKGXNP-UHFFFAOYSA-N
XLogP1.60
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
4-(azocane-1-carbonyl)benzenecarbothioamide
CID 28801480
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
azepan-1-yl-(4-hydrazinylphenyl)methanone
CID 62249723
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
1-[4-(azepane-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 166354714
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931

Frequently Asked Questions

What is the IUPAC name of amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium?
The IUPAC name of amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium (CID 173116156) is amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium.
What is the SMILES notation for amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium?
The canonical SMILES for amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium is N[N+](=O)c1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium?
The InChIKey is SDLSTXYKUKGXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3O2/c13-15(17)11-6-4-10(5-7-11)12(16)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H2,13,17)/q+1.
What are the key properties of amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium?
amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium has a molecular weight of 234.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-oxo-[4-(piperidine-1-carbonyl)phenyl]azanium is sourced from PubChem (CID 173116156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).