6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

C14H19N3O — CID 14627677

IUPAC6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNC1CCN(c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C14H19N3O/c15-11-5-7-17(8-6-11)12-2-3-13-10(9-12)1-4-14(18)16-13/h2-3,9,11H,1,4-8,15H2,(H,16,18)
InChIKeyKXRKAYGXCCSZNU-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.50
Rot. Bonds1

About 6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 14627677) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID14627677
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNC1CCN(c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C14H19N3O/c15-11-5-7-17(8-6-11)12-2-3-13-10(9-12)1-4-14(18)16-13/h2-3,9,11H,1,4-8,15H2,(H,16,18)
InChIKeyKXRKAYGXCCSZNU-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one;[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-4-yl] acetate
CID 159193149
6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236323
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103806132
6-(4-aminopiperidin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43556906
5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 15789043
6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 110640837
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236324
N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640813
6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 80560774
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 100934263
6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 110640841

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 14627677) is 6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is NC1CCN(c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KXRKAYGXCCSZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-11-5-7-17(8-6-11)12-2-3-13-10(9-12)1-4-14(18)16-13/h2-3,9,11H,1,4-8,15H2,(H,16,18).
What are the key properties of 6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 14627677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).