1-(quinolin-4-ylmethyl)piperidin-4-one

C15H16N2O — CID 79235169

IUPAC1-(quinolin-4-ylmethyl)piperidin-4-one
SMILESO=C1CCN(Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C15H16N2O/c18-13-6-9-17(10-7-13)11-12-5-8-16-15-4-2-1-3-14(12)15/h1-5,8H,6-7,9-11H2
InChIKeyLHGJBDFEUMJYKG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.40
Rot. Bonds2

About 1-(quinolin-4-ylmethyl)piperidin-4-one

1-(quinolin-4-ylmethyl)piperidin-4-one (PubChem CID 79235169) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(quinolin-4-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(quinolin-4-ylmethyl)piperidin-4-one
PubChem CID79235169
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(quinolin-4-ylmethyl)piperidin-4-one
SMILESO=C1CCN(Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C15H16N2O/c18-13-6-9-17(10-7-13)11-12-5-8-16-15-4-2-1-3-14(12)15/h1-5,8H,6-7,9-11H2
InChIKeyLHGJBDFEUMJYKG-UHFFFAOYSA-N
XLogP2.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(quinolin-4-ylmethyl)piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione
CID 79240641
1-quinolin-4-ylpiperidin-4-one
CID 22000285
2-(quinolin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 69047243
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
CID 106838033
2-methylsulfanyl-6-(quinolin-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861293
6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid
CID 79231197
1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one
CID 104601300
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
4-(pyrrol-1-ylmethyl)quinoline
CID 79240222
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395
2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
CID 81213273

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-4-ylmethyl)piperidin-4-one?
The IUPAC name of 1-(quinolin-4-ylmethyl)piperidin-4-one (CID 79235169) is 1-(quinolin-4-ylmethyl)piperidin-4-one.
What is the SMILES notation for 1-(quinolin-4-ylmethyl)piperidin-4-one?
The canonical SMILES for 1-(quinolin-4-ylmethyl)piperidin-4-one is O=C1CCN(Cc2ccnc3ccccc23)CC1.
What is the InChIKey of 1-(quinolin-4-ylmethyl)piperidin-4-one?
The InChIKey is LHGJBDFEUMJYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-13-6-9-17(10-7-13)11-12-5-8-16-15-4-2-1-3-14(12)15/h1-5,8H,6-7,9-11H2.
What are the key properties of 1-(quinolin-4-ylmethyl)piperidin-4-one?
1-(quinolin-4-ylmethyl)piperidin-4-one has a molecular weight of 240.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-4-ylmethyl)piperidin-4-one is sourced from PubChem (CID 79235169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).