(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone

C13H22N2O — CID 106314070

IUPAC(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone
SMILESCC1=CCCN(C(=O)C2CCNC(C)C2)C1
InChIInChI=1S/C13H22N2O/c1-10-4-3-7-15(9-10)13(16)12-5-6-14-11(2)8-12/h4,11-12,14H,3,5-9H2,1-2H3
InChIKeyXJWUXLRPVNNOJC-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.55
Rot. Bonds1

About (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone (PubChem CID 106314070) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone
PubChem CID106314070
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone
SMILESCC1=CCCN(C(=O)C2CCNC(C)C2)C1
InChIInChI=1S/C13H22N2O/c1-10-4-3-7-15(9-10)13(16)12-5-6-14-11(2)8-12/h4,11-12,14H,3,5-9H2,1-2H3
InChIKeyXJWUXLRPVNNOJC-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-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

3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106316277
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 106313965
(2-methylpiperidin-4-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106740744
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
[4-(4-methylbenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120620493
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120629643
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617038
cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106313385

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone?
The IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone (CID 106314070) is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone?
The canonical SMILES for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone is CC1=CCCN(C(=O)C2CCNC(C)C2)C1.
What is the InChIKey of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone?
The InChIKey is XJWUXLRPVNNOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-4-3-7-15(9-10)13(16)12-5-6-14-11(2)8-12/h4,11-12,14H,3,5-9H2,1-2H3.
What are the key properties of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone?
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 106314070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).