[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone

C19H23N3O — CID 75436364

IUPAC[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(c3ncc(C)c(C)n3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-13-4-6-16(7-5-13)18(23)17-8-10-22(11-9-17)19-20-12-14(2)15(3)21-19/h4-7,12,17H,8-11H2,1-3H3
InChIKeyXZKJALKPHLPSKP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.50
Rot. Bonds3

About [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone

[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 75436364) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID75436364
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(c3ncc(C)c(C)n3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-13-4-6-16(7-5-13)18(23)17-8-10-22(11-9-17)19-20-12-14(2)15(3)21-19/h4-7,12,17H,8-11H2,1-3H3
InChIKeyXZKJALKPHLPSKP-UHFFFAOYSA-N
XLogP3.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)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

5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133291320
1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide
CID 136518722
1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002097
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
N-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methoxybenzamide
CID 75394886
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324
N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 84594920
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106616
[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 133273395
[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 51089756

Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone (CID 75436364) is [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(c3ncc(C)c(C)n3)CC2)cc1.
What is the InChIKey of [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is XZKJALKPHLPSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-4-6-16(7-5-13)18(23)17-8-10-22(11-9-17)19-20-12-14(2)15(3)21-19/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone?
[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 75436364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).