[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone

C20H25N3O3 — CID 155992662

IUPAC[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
SMILESCOC1(COc2ccc(C)cc2)CCCN(C(=O)c2nccc(C)n2)C1
InChIInChI=1S/C20H25N3O3/c1-15-5-7-17(8-6-15)26-14-20(25-3)10-4-12-23(13-20)19(24)18-21-11-9-16(2)22-18/h5-9,11H,4,10,12-14H2,1-3H3
InChIKeyIQUUCEUQIZDDSO-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.79
Rot. Bonds5

About [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone

[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone (PubChem CID 155992662) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
PubChem CID155992662
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
SMILESCOC1(COc2ccc(C)cc2)CCCN(C(=O)c2nccc(C)n2)C1
InChIInChI=1S/C20H25N3O3/c1-15-5-7-17(8-6-15)26-14-20(25-3)10-4-12-23(13-20)19(24)18-21-11-9-16(2)22-18/h5-9,11H,4,10,12-14H2,1-3H3
InChIKeyIQUUCEUQIZDDSO-UHFFFAOYSA-N
XLogP2.79
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 155992013
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 132764637
(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
CID 171687664
6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124980363
3-[3-methoxy-1-(2-methylpyridine-4-carbonyl)piperidin-3-yl]propanamide
CID 132948118
[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 132764056
(4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone
CID 177203611
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone
CID 131961467
3-[3-methoxy-1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-N-methylpropanamide
CID 132948438

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone?
The IUPAC name of [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone (CID 155992662) is [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone.
What is the SMILES notation for [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone?
The canonical SMILES for [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone is COC1(COc2ccc(C)cc2)CCCN(C(=O)c2nccc(C)n2)C1.
What is the InChIKey of [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone?
The InChIKey is IQUUCEUQIZDDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-5-7-17(8-6-15)26-14-20(25-3)10-4-12-23(13-20)19(24)18-21-11-9-16(2)22-18/h5-9,11H,4,10,12-14H2,1-3H3.
What are the key properties of [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone?
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone is sourced from PubChem (CID 155992662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).