(2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone

C24H25N3O — CID 53137639

IUPAC(2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2nccc(C3CCCN(C(=O)c4ccccc4C)C3)n2)cc1
InChIInChI=1S/C24H25N3O/c1-17-9-11-19(12-10-17)23-25-14-13-22(26-23)20-7-5-15-27(16-20)24(28)21-8-4-3-6-18(21)2/h3-4,6,8-14,20H,5,7,15-16H2,1-2H3
InChIKeyPDZIMZBAQYQGEC-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.78
Rot. Bonds3

About (2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone

(2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 53137639) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is (2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID53137639
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name(2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2nccc(C3CCCN(C(=O)c4ccccc4C)C3)n2)cc1
InChIInChI=1S/C24H25N3O/c1-17-9-11-19(12-10-17)23-25-14-13-22(26-23)20-7-5-15-27(16-20)24(28)21-8-4-3-6-18(21)2/h3-4,6,8-14,20H,5,7,15-16H2,1-2H3
InChIKeyPDZIMZBAQYQGEC-UHFFFAOYSA-N
XLogP4.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137615
[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 53137664
(2-fluorophenyl)-[(3R)-3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093653
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
(2-fluorophenyl)-[3-[2-(4-methylanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53139994
3-methyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093486
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093558
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
2-ethyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093484
(3-chloro-4-fluorophenyl)-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95093509

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 53137639) is (2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1ccc(-c2nccc(C3CCCN(C(=O)c4ccccc4C)C3)n2)cc1.
What is the InChIKey of (2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is PDZIMZBAQYQGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-17-9-11-19(12-10-17)23-25-14-13-22(26-23)20-7-5-15-27(16-20)24(28)21-8-4-3-6-18(21)2/h3-4,6,8-14,20H,5,7,15-16H2,1-2H3.
What are the key properties of (2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
(2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53137639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).