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

C25H27N3O — CID 53137615

IUPAC(3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2nccc(C3CCCN(C(=O)c4ccc(C)c(C)c4)C3)n2)cc1
InChIInChI=1S/C25H27N3O/c1-17-6-9-20(10-7-17)24-26-13-12-23(27-24)22-5-4-14-28(16-22)25(29)21-11-8-18(2)19(3)15-21/h6-13,15,22H,4-5,14,16H2,1-3H3
InChIKeyOYPKJXGDWPSCRC-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.09
Rot. Bonds3

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

(3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 53137615) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID53137615
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name(3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2nccc(C3CCCN(C(=O)c4ccc(C)c(C)c4)C3)n2)cc1
InChIInChI=1S/C25H27N3O/c1-17-6-9-20(10-7-17)24-26-13-12-23(27-24)22-5-4-14-28(16-22)25(29)21-11-8-18(2)19(3)15-21/h6-13,15,22H,4-5,14,16H2,1-3H3
InChIKeyOYPKJXGDWPSCRC-UHFFFAOYSA-N
XLogP5.09
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137639
(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
[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 53137664
(3-chloro-4-fluorophenyl)-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95093509
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
(3S)-N-(4-chloro-2-fluorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide
CID 95050541
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093689
1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 53137653

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 53137615) is (3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1ccc(-c2nccc(C3CCCN(C(=O)c4ccc(C)c(C)c4)C3)n2)cc1.
What is the InChIKey of (3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is OYPKJXGDWPSCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-17-6-9-20(10-7-17)24-26-13-12-23(27-24)22-5-4-14-28(16-22)25(29)21-11-8-18(2)19(3)15-21/h6-13,15,22H,4-5,14,16H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
(3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53137615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).