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

C16H26N6O4 — CID 78304625

IUPAC1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide
SMILESCCOCCN1C(N2CCC(C(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C16H26N6O4/c1-3-26-9-8-22-11-13(20(2)16(25)19-14(11)24)18-15(22)21-6-4-10(5-7-21)12(17)23/h10-11,13H,3-9H2,1-2H3,(H2,17,23)(H,19,24,25)
InChIKeyHXNZLIFDJZWWOV-UHFFFAOYSA-N
MW366.42 g/mol
LogP-1.23
Rot. Bonds5

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

1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide (PubChem CID 78304625) has the molecular formula C16H26N6O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide
PubChem CID78304625
Molecular FormulaC16H26N6O4
Molecular Weight366.42 g/mol
Exact Mass366.20
IUPAC Name1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide
SMILESCCOCCN1C(N2CCC(C(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C16H26N6O4/c1-3-26-9-8-22-11-13(20(2)16(25)19-14(11)24)18-15(22)21-6-4-10(5-7-21)12(17)23/h10-11,13H,3-9H2,1-2H3,(H2,17,23)(H,19,24,25)
InChIKeyHXNZLIFDJZWWOV-UHFFFAOYSA-N
XLogP-1.23
TPSA120.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
Butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 46984062
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 53237797

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide (CID 78304625) is 1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide is CCOCCN1C(N2CCC(C(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide?
The InChIKey is HXNZLIFDJZWWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O4/c1-3-26-9-8-22-11-13(20(2)16(25)19-14(11)24)18-15(22)21-6-4-10(5-7-21)12(17)23/h10-11,13H,3-9H2,1-2H3,(H2,17,23)(H,19,24,25).
What are the key properties of 1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide?
1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of -1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide is sourced from PubChem (CID 78304625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).