1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide

C15H24N6O4 — CID 78304633

IUPAC1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide
SMILESCOCCN1C(N2CCC(C(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H24N6O4/c1-19-12-10(13(23)18-15(19)24)21(7-8-25-2)14(17-12)20-5-3-9(4-6-20)11(16)22/h9-10,12H,3-8H2,1-2H3,(H2,16,22)(H,18,23,24)
InChIKeyGHDOYVHSVRSRMR-UHFFFAOYSA-N
MW352.40 g/mol
LogP-1.62
Rot. Bonds4

About 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide

1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide (PubChem CID 78304633) has the molecular formula C15H24N6O4 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide
PubChem CID78304633
Molecular FormulaC15H24N6O4
Molecular Weight352.40 g/mol
Exact Mass352.19
IUPAC Name1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide
SMILESCOCCN1C(N2CCC(C(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H24N6O4/c1-19-12-10(13(23)18-15(19)24)21(7-8-25-2)14(17-12)20-5-3-9(4-6-20)11(16)22/h9-10,12H,3-8H2,1-2H3,(H2,16,22)(H,18,23,24)
InChIKeyGHDOYVHSVRSRMR-UHFFFAOYSA-N
XLogP-1.62
TPSA120.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 4090639
1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 4090640
(4S,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936424
(4S,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936425
(4R,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936426
(4R,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936427
(4S,5S)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936428
(4S,5S)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936429
(4R,5S)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936430
(4R,5S)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936431
Ethyl 2-[4-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetate
CID 73281555
1-[[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-8-yl]methyl]piperidine-4-carboxamide
CID 73282321

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide (CID 78304633) is 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide is COCCN1C(N2CCC(C(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide?
The InChIKey is GHDOYVHSVRSRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O4/c1-19-12-10(13(23)18-15(19)24)21(7-8-25-2)14(17-12)20-5-3-9(4-6-20)11(16)22/h9-10,12H,3-8H2,1-2H3,(H2,16,22)(H,18,23,24).
What are the key properties of 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide?
1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of -1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide is sourced from PubChem (CID 78304633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).