3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one

C14H17N3O — CID 71197765

IUPAC3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one
SMILESNN1CCC(c2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C14H17N3O/c15-17-7-5-10(6-8-17)12-9-11-3-1-2-4-13(11)16-14(12)18/h1-4,9-10H,5-8,15H2,(H,16,18)
InChIKeyCHEJUSJJQALLMN-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.58
Rot. Bonds1

About 3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one

3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one (PubChem CID 71197765) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one
PubChem CID71197765
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one
SMILESNN1CCC(c2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C14H17N3O/c15-17-7-5-10(6-8-17)12-9-11-3-1-2-4-13(11)16-14(12)18/h1-4,9-10H,5-8,15H2,(H,16,18)
InChIKeyCHEJUSJJQALLMN-UHFFFAOYSA-N
XLogP1.58
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one
CID 91511862
3-cyclohept-4-en-1-yl-1H-quinolin-2-one
CID 71197719
3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one
CID 91475456
ethyl 6-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]pyrimidine-4-carboxylate
CID 58386736
3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84621897
4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
CID 143577325
3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one
CID 58386660
N'-[(1Z)-3-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]buta-1,3-dienyl]methanimidamide
CID 173477372
[(2R)-1-amino-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 89227095
N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane
CID 142953954
tert-butyl 4-[2-oxo-1-(pent-4-enoyloxymethyl)quinolin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 163617311
3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one
CID 155811332

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one (CID 71197765) is 3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one is NN1CCC(c2cc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one?
The InChIKey is CHEJUSJJQALLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-17-7-5-10(6-8-17)12-9-11-3-1-2-4-13(11)16-14(12)18/h1-4,9-10H,5-8,15H2,(H,16,18).
What are the key properties of 3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one?
3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 71197765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).