6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C19H23N3O4 — CID 70759958

IUPAC6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(OC2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1
InChIInChI=1S/C19H23N3O4/c1-12-3-5-14(6-4-12)26-15-7-9-22(10-8-15)17(23)11-16-13(2)20-19(25)21-18(16)24/h3-6,15H,7-11H2,1-2H3,(H2,20,21,24,25)
InChIKeyKGFSFVOAENNJQY-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.29
Rot. Bonds4

About 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70759958) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70759958
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(OC2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1
InChIInChI=1S/C19H23N3O4/c1-12-3-5-14(6-4-12)26-15-7-9-22(10-8-15)17(23)11-16-13(2)20-19(25)21-18(16)24/h3-6,15H,7-11H2,1-2H3,(H2,20,21,24,25)
InChIKeyKGFSFVOAENNJQY-UHFFFAOYSA-N
XLogP1.29
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-methyl-5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 72878302
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110397075
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
3-(2-aminophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 120609194
5-[2-[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 99978950
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70735971
6-methyl-5-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 70763117

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70759958) is 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is Cc1ccc(OC2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1.
What is the InChIKey of 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KGFSFVOAENNJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-3-5-14(6-4-12)26-15-7-9-22(10-8-15)17(23)11-16-13(2)20-19(25)21-18(16)24/h3-6,15H,7-11H2,1-2H3,(H2,20,21,24,25).
What are the key properties of 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70759958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).