(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

C19H22N2O — CID 136536266

IUPAC(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(c3ccncc3)CC2)c1
InChIInChI=1S/C19H22N2O/c1-14-3-4-15(2)18(13-14)19(22)21-11-7-17(8-12-21)16-5-9-20-10-6-16/h3-6,9-10,13,17H,7-8,11-12H2,1-2H3
InChIKeySZGAXDYMEQKOJZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.72
Rot. Bonds2

About (2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (PubChem CID 136536266) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
PubChem CID136536266
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(c3ccncc3)CC2)c1
InChIInChI=1S/C19H22N2O/c1-14-3-4-15(2)18(13-14)19(22)21-11-7-17(8-12-21)16-5-9-20-10-6-16/h3-6,9-10,13,17H,7-8,11-12H2,1-2H3
InChIKeySZGAXDYMEQKOJZ-UHFFFAOYSA-N
XLogP3.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808553
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 51327506
5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 138050332
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916408
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276502
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (CID 136536266) is (2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is Cc1ccc(C)c(C(=O)N2CCC(c3ccncc3)CC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The InChIKey is SZGAXDYMEQKOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-3-4-15(2)18(13-14)19(22)21-11-7-17(8-12-21)16-5-9-20-10-6-16/h3-6,9-10,13,17H,7-8,11-12H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 136536266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).