6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

C20H25N3O5 — CID 124980363

IUPAC6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCO[C@@]1(COc2ccccc2)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C20H25N3O5/c1-21-16(12-17(24)22(2)19(21)26)18(25)23-11-7-10-20(13-23,27-3)14-28-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13-14H2,1-3H3/t20-/m0/s1
InChIKeyMIGROMMGURZOSK-FQEVSTJZSA-N
MW387.44 g/mol
LogP0.78
Rot. Bonds5

About 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 124980363) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID124980363
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCO[C@@]1(COc2ccccc2)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C20H25N3O5/c1-21-16(12-17(24)22(2)19(21)26)18(25)23-11-7-10-20(13-23,27-3)14-28-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13-14H2,1-3H3/t20-/m0/s1
InChIKeyMIGROMMGURZOSK-FQEVSTJZSA-N
XLogP0.78
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 155992013
(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 132776385
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 132776924
3-[[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 132777552
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
CID 155992662
2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
CID 171687664
5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 132765084
6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 70765107
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 132764637

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (CID 124980363) is 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MIGROMMGURZOSK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-21-16(12-17(24)22(2)19(21)26)18(25)23-11-7-10-20(13-23,27-3)14-28-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13-14H2,1-3H3/t20-/m0/s1.
What are the key properties of 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 124980363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).