5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C19H23N3O4 — CID 132765084

IUPAC5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCOC1(COc2ccccc2C)CCCN(C(=O)c2cnc[nH]c2=O)C1
InChIInChI=1S/C19H23N3O4/c1-14-6-3-4-7-16(14)26-12-19(25-2)8-5-9-22(11-19)18(24)15-10-20-13-21-17(15)23/h3-4,6-7,10,13H,5,8-9,11-12H2,1-2H3,(H,20,21,23)
InChIKeyXRBIYVKRBYJUGF-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.78
Rot. Bonds5

About 5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 132765084) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID132765084
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCOC1(COc2ccccc2C)CCCN(C(=O)c2cnc[nH]c2=O)C1
InChIInChI=1S/C19H23N3O4/c1-14-6-3-4-7-16(14)26-12-19(25-2)8-5-9-22(11-19)18(24)15-10-20-13-21-17(15)23/h3-4,6-7,10,13H,5,8-9,11-12H2,1-2H3,(H,20,21,23)
InChIKeyXRBIYVKRBYJUGF-UHFFFAOYSA-N
XLogP1.78
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 132764030
(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
(6S)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95871019
5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95549172
[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 155992013
3-[3-methoxy-1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-N-methylpropanamide
CID 132948438
6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124980363
5-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrimidin-6-one
CID 164692530
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 132764637
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
CID 155992662

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 132765084) is 5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is COC1(COc2ccccc2C)CCCN(C(=O)c2cnc[nH]c2=O)C1.
What is the InChIKey of 5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is XRBIYVKRBYJUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14-6-3-4-7-16(14)26-12-19(25-2)8-5-9-22(11-19)18(24)15-10-20-13-21-17(15)23/h3-4,6-7,10,13H,5,8-9,11-12H2,1-2H3,(H,20,21,23).
What are the key properties of 5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 357.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 132765084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).