(3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone

C19H28N2O — CID 171361860

IUPAC(3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(C)C2)cc1C1CCNCC1
InChIInChI=1S/C19H28N2O/c1-14-4-3-11-21(13-14)19(22)17-6-5-15(2)18(12-17)16-7-9-20-10-8-16/h5-6,12,14,16,20H,3-4,7-11,13H2,1-2H3
InChIKeyXQELCRHIBYICEK-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.33
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone

(3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone (PubChem CID 171361860) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
PubChem CID171361860
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(C)C2)cc1C1CCNCC1
InChIInChI=1S/C19H28N2O/c1-14-4-3-11-21(13-14)19(22)17-6-5-15(2)18(12-17)16-7-9-20-10-8-16/h5-6,12,14,16,20H,3-4,7-11,13H2,1-2H3
InChIKeyXQELCRHIBYICEK-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)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

(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171361863
(2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
CID 171361858
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 166001112
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone
CID 171361802
[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 81476762
(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 171361801
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone (CID 171361860) is (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone is Cc1ccc(C(=O)N2CCCC(C)C2)cc1C1CCNCC1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone?
The InChIKey is XQELCRHIBYICEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-4-3-11-21(13-14)19(22)17-6-5-15(2)18(12-17)16-7-9-20-10-8-16/h5-6,12,14,16,20H,3-4,7-11,13H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone?
(3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone has a molecular weight of 300.45 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone is sourced from PubChem (CID 171361860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).