3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

C20H22N4O3 — CID 46335311

IUPAC3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)Cn2c(=O)[nH]c3c(-c4ccccc4)c[nH]c3c2=O)CC1
InChIInChI=1S/C20H22N4O3/c1-13-7-9-23(10-8-13)16(25)12-24-19(26)18-17(22-20(24)27)15(11-21-18)14-5-3-2-4-6-14/h2-6,11,13,21H,7-10,12H2,1H3,(H,22,27)
InChIKeyUWAQYSKWLWSXLW-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.94
Rot. Bonds3

About 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 46335311) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID46335311
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)Cn2c(=O)[nH]c3c(-c4ccccc4)c[nH]c3c2=O)CC1
InChIInChI=1S/C20H22N4O3/c1-13-7-9-23(10-8-13)16(25)12-24-19(26)18-17(22-20(24)27)15(11-21-18)14-5-3-2-4-6-14/h2-6,11,13,21H,7-10,12H2,1H3,(H,22,27)
InChIKeyUWAQYSKWLWSXLW-UHFFFAOYSA-N
XLogP1.94
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 46335311) is 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is CC1CCN(C(=O)Cn2c(=O)[nH]c3c(-c4ccccc4)c[nH]c3c2=O)CC1.
What is the InChIKey of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is UWAQYSKWLWSXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-7-9-23(10-8-13)16(25)12-24-19(26)18-17(22-20(24)27)15(11-21-18)14-5-3-2-4-6-14/h2-6,11,13,21H,7-10,12H2,1H3,(H,22,27).
What are the key properties of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 366.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 46335311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).