1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone

C18H20N2O — CID 22248581

IUPAC1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone
SMILESO=C(Cc1ccccc1-c1cccnc1)C1CCNCC1
InChIInChI=1S/C18H20N2O/c21-18(14-7-10-19-11-8-14)12-15-4-1-2-6-17(15)16-5-3-9-20-13-16/h1-6,9,13-14,19H,7-8,10-12H2
InChIKeyNOQQSYRNQBPLSO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.86
Rot. Bonds4

About 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone

1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone (PubChem CID 22248581) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone.

Molecular Properties

Compound Name1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone
PubChem CID22248581
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone
SMILESO=C(Cc1ccccc1-c1cccnc1)C1CCNCC1
InChIInChI=1S/C18H20N2O/c21-18(14-7-10-19-11-8-14)12-15-4-1-2-6-17(15)16-5-3-9-20-13-16/h1-6,9,13-14,19H,7-8,10-12H2
InChIKeyNOQQSYRNQBPLSO-UHFFFAOYSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone 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-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
[2-(2-oxo-2-piperidin-4-ylethyl)phenyl]methanesulfinic acid
CID 174479438
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone
CID 22248272
4-phenyl-3-(piperidin-4-ylmethyl)pyridine
CID 115009267
piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134801404
2-[(2-pyridin-3-ylphenyl)methyl]morpholine
CID 173109639
N,N-dimethyl-1-(2-pyridin-3-ylphenyl)methanamine
CID 90921130
3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497165
2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone
CID 116568289
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone
CID 122628175
3-[2-(3-methylbutyl)phenyl]pyridine
CID 159924713

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone?
The IUPAC name of 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone (CID 22248581) is 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone.
What is the SMILES notation for 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone?
The canonical SMILES for 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone is O=C(Cc1ccccc1-c1cccnc1)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone?
The InChIKey is NOQQSYRNQBPLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(14-7-10-19-11-8-14)12-15-4-1-2-6-17(15)16-5-3-9-20-13-16/h1-6,9,13-14,19H,7-8,10-12H2.
What are the key properties of 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone?
1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone is sourced from PubChem (CID 22248581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).