[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone

C19H23N3O — CID 97326313

IUPAC[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC[C@H]2c2cccc(C)c2C)ncn1
InChIInChI=1S/C19H23N3O/c1-13-7-6-8-16(15(13)3)18-9-4-5-10-22(18)19(23)17-11-14(2)20-12-21-17/h6-8,11-12,18H,4-5,9-10H2,1-3H3/t18-/m0/s1
InChIKeyPDAOQWJJBYSSHU-SFHVURJKSA-N
MW309.41 g/mol
LogP3.77
Rot. Bonds2

About [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone

[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone (PubChem CID 97326313) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone
PubChem CID97326313
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC[C@H]2c2cccc(C)c2C)ncn1
InChIInChI=1S/C19H23N3O/c1-13-7-6-8-16(15(13)3)18-9-4-5-10-22(18)19(23)17-11-14(2)20-12-21-17/h6-8,11-12,18H,4-5,9-10H2,1-3H3/t18-/m0/s1
InChIKeyPDAOQWJJBYSSHU-SFHVURJKSA-N
XLogP3.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-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

2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
CID 119336658
[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone
CID 124844780
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 119800975
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119800987
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
[(2S)-2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124571225
1,2,4-benzotriazin-3-yl-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 127265295
(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119806563
4-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119336667
2-[2-(2,3-dimethylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976383
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119333493

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone?
The IUPAC name of [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone (CID 97326313) is [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCCC[C@H]2c2cccc(C)c2C)ncn1.
What is the InChIKey of [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone?
The InChIKey is PDAOQWJJBYSSHU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-7-6-8-16(15(13)3)18-9-4-5-10-22(18)19(23)17-11-14(2)20-12-21-17/h6-8,11-12,18H,4-5,9-10H2,1-3H3/t18-/m0/s1.
What are the key properties of [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone?
[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 97326313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).