3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione

C19H33N5O2 — CID 78303083

IUPAC3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCCCCCCCCN1C(N2CCCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C19H33N5O2/c1-3-4-5-6-7-11-14-24-15-16(22(2)19(26)21-17(15)25)20-18(24)23-12-9-8-10-13-23/h15-16H,3-14H2,1-2H3,(H,21,25,26)
InChIKeyVANLMHIZSWDKRH-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.38
Rot. Bonds7

About 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione

3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione (PubChem CID 78303083) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
PubChem CID78303083
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCCCCCCCCN1C(N2CCCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C19H33N5O2/c1-3-4-5-6-7-11-14-24-15-16(22(2)19(26)21-17(15)25)20-18(24)23-12-9-8-10-13-23/h15-16H,3-14H2,1-2H3,(H,21,25,26)
InChIKeyVANLMHIZSWDKRH-UHFFFAOYSA-N
XLogP2.38
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione with MolForge

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Related Compounds

7-dodecyl-3-methyl-8-(4-methylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 45053494
3-methyl-7-pentyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 78302977
7-hexadecyl-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
CID 78303401
3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78302969
8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78379500
2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
CID 73282258
8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-7-hexyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 73329024
8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 73329021
7-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 143956052
7-butyl-3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-4,5-dihydropurine-2,6-dione
CID 73327360
8-butylsulfanyl-7-decyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78303715
8-butylsulfanyl-7-hexadecyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78334732

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione (CID 78303083) is 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione is CCCCCCCCN1C(N2CCCCC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is VANLMHIZSWDKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-3-4-5-6-7-11-14-24-15-16(22(2)19(26)21-17(15)25)20-18(24)23-12-9-8-10-13-23/h15-16H,3-14H2,1-2H3,(H,21,25,26).
What are the key properties of 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 363.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78303083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).