[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

C20H24N2O — CID 42361597

IUPAC[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1ccccc1CC[C@H]1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C20H24N2O/c1-16-5-2-3-7-18(16)9-8-17-6-4-14-22(15-17)20(23)19-10-12-21-13-11-19/h2-3,5,7,10-13,17H,4,6,8-9,14-15H2,1H3/t17-/m1/s1
InChIKeyWFNUQPYYOCTJDA-QGZVFWFLSA-N
MW308.43 g/mol
LogP3.88
Rot. Bonds4

About [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 42361597) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID42361597
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1ccccc1CC[C@H]1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C20H24N2O/c1-16-5-2-3-7-18(16)9-8-17-6-4-14-22(15-17)20(23)19-10-12-21-13-11-19/h2-3,5,7,10-13,17H,4,6,8-9,14-15H2,1H3/t17-/m1/s1
InChIKeyWFNUQPYYOCTJDA-QGZVFWFLSA-N
XLogP3.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone 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

(3-hydroxy-4-methylphenyl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95555458
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 95553487
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56860981
5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95549172
(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25458378
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196
2-methyl-5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56878773
1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 45220879

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 42361597) is [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is WFNUQPYYOCTJDA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-5-2-3-7-18(16)9-8-17-6-4-14-22(15-17)20(23)19-10-12-21-13-11-19/h2-3,5,7,10-13,17H,4,6,8-9,14-15H2,1H3/t17-/m1/s1.
What are the key properties of [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 308.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 42361597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).