N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C17H25FN6O — CID 165432385

IUPACN-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCn1cnc2c(N3CCC(F)(CNC(=O)C(C)(C)C)CC3)ncnc21
InChIInChI=1S/C17H25FN6O/c1-16(2,3)15(25)19-9-17(18)5-7-24(8-6-17)14-12-13(20-10-21-14)23(4)11-22-12/h10-11H,5-9H2,1-4H3,(H,19,25)
InChIKeySIXVXSRIXTYACO-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.83
Rot. Bonds3

About N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 165432385) has the molecular formula C17H25FN6O and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID165432385
Molecular FormulaC17H25FN6O
Molecular Weight348.43 g/mol
Exact Mass348.21
IUPAC NameN-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCn1cnc2c(N3CCC(F)(CNC(=O)C(C)(C)C)CC3)ncnc21
InChIInChI=1S/C17H25FN6O/c1-16(2,3)15(25)19-9-17(18)5-7-24(8-6-17)14-12-13(20-10-21-14)23(4)11-22-12/h10-11H,5-9H2,1-4H3,(H,19,25)
InChIKeySIXVXSRIXTYACO-UHFFFAOYSA-N
XLogP1.83
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{6H,7H,8H,9H,10H-Azepino[2,1-H]purin-4-YL}-N-[2-(4-methylpiperidin-1-YL)ethyl]piperidine-3-carboxamide
CID 20912351
(4-methyl-1-piperazinyl)-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone
CID 24792110
N-(3-methoxypropyl)-6,7,8,9-tetrahydropyrido[1,2-e]purin-4-amine
CID 20912626
3-oxo-3-[9-(7H-purin-6-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile
CID 58293343
3-oxo-3-[2-(7H-purin-6-yl)-2,6-diazaspiro[4.5]decan-6-yl]propanenitrile
CID 58293401
N-[(3S)-1-[2-tert-butyl-9-(3,3,3-trifluoropropyl)purin-6-yl]pyrrolidin-3-yl]acetamide
CID 117679140
N-[2-(dimethylamino)ethyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide
CID 16021503
1-{6H,7H,8H,9H,10H-Azepino[2,1-H]purin-4-YL}-N-[3-(2-ethylpiperidin-1-YL)propyl]piperidine-4-carboxamide
CID 20912482
1-{6H,7H,8H,9H,10H-Azepino[2,1-H]purin-4-YL}-N-[3-(piperidin-1-YL)propyl]piperidine-4-carboxamide
CID 20912544
1-(7H-purin-6-yl)piperidine-4-carboxamide
CID 756695
1-(6-Aminopurin-9-yl)butan-1-one
CID 57246713
[4-[2-Amino-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]piperazin-1-yl]-cyclopentylmethanone
CID 142588374

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 165432385) is N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is Cn1cnc2c(N3CCC(F)(CNC(=O)C(C)(C)C)CC3)ncnc21.
What is the InChIKey of N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is SIXVXSRIXTYACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6O/c1-16(2,3)15(25)19-9-17(18)5-7-24(8-6-17)14-12-13(20-10-21-14)23(4)11-22-12/h10-11H,5-9H2,1-4H3,(H,19,25).
What are the key properties of N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 348.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165432385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).