(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone

C17H19N3O2 — CID 122259764

IUPAC(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C17H19N3O2/c1-13-5-2-3-7-15(13)17(21)20-10-4-6-14(11-20)22-16-8-9-18-12-19-16/h2-3,5,7-9,12,14H,4,6,10-11H2,1H3
InChIKeyGZKORUHLJNIUMN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.47
Rot. Bonds3

About (2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone

(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 122259764) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID122259764
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C17H19N3O2/c1-13-5-2-3-7-15(13)17(21)20-10-4-6-14(11-20)22-16-8-9-18-12-19-16/h2-3,5,7-9,12,14H,4,6,10-11H2,1H3
InChIKeyGZKORUHLJNIUMN-UHFFFAOYSA-N
XLogP2.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259988
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
CID 122160882
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259891
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122259866

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 122259764) is (2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone is Cc1ccccc1C(=O)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of (2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is GZKORUHLJNIUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-5-2-3-7-15(13)17(21)20-10-4-6-14(11-20)22-16-8-9-18-12-19-16/h2-3,5,7-9,12,14H,4,6,10-11H2,1H3.
What are the key properties of (2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122259764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).