(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone

C18H20N2O — CID 121451790

IUPAC(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3ccccn3)C2)cc1
InChIInChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)18(21)20-12-4-5-16(13-20)17-6-2-3-11-19-17/h2-3,6-11,16H,4-5,12-13H2,1H3
InChIKeyRUPDWXJPNGNBON-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.41
Rot. Bonds2

About (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone

(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 121451790) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID121451790
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3ccccn3)C2)cc1
InChIInChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)18(21)20-12-4-5-16(13-20)17-6-2-3-11-19-17/h2-3,6-11,16H,4-5,12-13H2,1H3
InChIKeyRUPDWXJPNGNBON-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone 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

2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
(4-methylphenyl)-[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192830
(3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137615
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
(2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137639
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
[4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126448387
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone (CID 121451790) is (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCCC(c3ccccn3)C2)cc1.
What is the InChIKey of (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is RUPDWXJPNGNBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)18(21)20-12-4-5-16(13-20)17-6-2-3-11-19-17/h2-3,6-11,16H,4-5,12-13H2,1H3.
What are the key properties of (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone?
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 121451790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).