[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone

C19H23N3O3 — CID 132764523

IUPAC[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCOC1(COc2ccc(C)cc2)CCCN(C(=O)c2cncnc2)C1
InChIInChI=1S/C19H23N3O3/c1-15-4-6-17(7-5-15)25-13-19(24-2)8-3-9-22(12-19)18(23)16-10-20-14-21-11-16/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3
InChIKeyLIKASDMUTYMWJC-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.49
Rot. Bonds5

About [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone

[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 132764523) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID132764523
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCOC1(COc2ccc(C)cc2)CCCN(C(=O)c2cncnc2)C1
InChIInChI=1S/C19H23N3O3/c1-15-4-6-17(7-5-15)25-13-19(24-2)8-3-9-22(12-19)18(23)16-10-20-14-21-11-16/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3
InChIKeyLIKASDMUTYMWJC-UHFFFAOYSA-N
XLogP2.49
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
CID 155992662
[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 155992013
(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 132764637
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-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 132776385
(2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone
CID 132764912
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone
CID 131961467
[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 132764030
5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 132765084

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone (CID 132764523) is [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone is COC1(COc2ccc(C)cc2)CCCN(C(=O)c2cncnc2)C1.
What is the InChIKey of [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is LIKASDMUTYMWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-15-4-6-17(7-5-15)25-13-19(24-2)8-3-9-22(12-19)18(23)16-10-20-14-21-11-16/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3.
What are the key properties of [3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone?
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 2.49, 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]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 132764523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).