7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one

C18H21FN6O — CID 135588854

IUPAC7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one
SMILESCN1CCC(Nc2nc3nc[nH]c(=O)c3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN6O/c1-24-8-6-14(7-9-24)22-18-23-16-15(17(26)21-11-20-16)25(18)10-12-2-4-13(19)5-3-12/h2-5,11,14H,6-10H2,1H3,(H2,20,21,22,23,26)
InChIKeyBIECQWSUGFDYPL-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.81
Rot. Bonds4

About 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one

7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one (PubChem CID 135588854) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one
PubChem CID135588854
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC Name7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one
SMILESCN1CCC(Nc2nc3nc[nH]c(=O)c3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN6O/c1-24-8-6-14(7-9-24)22-18-23-16-15(17(26)21-11-20-16)25(18)10-12-2-4-13(19)5-3-12/h2-5,11,14H,6-10H2,1H3,(H2,20,21,22,23,26)
InChIKeyBIECQWSUGFDYPL-UHFFFAOYSA-N
XLogP1.81
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)methyl]-1H-purin-6-one
CID 135588859
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol
CID 19785252
8-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-1H-purin-6-one
CID 135627082
1-ethyl-4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]tetrazol-5-one
CID 12891603
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
3-[2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 67878780
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
1-[(4-fluorophenyl)methyl]-N-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]benzimidazol-2-amine
CID 12891548
N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane
CID 145332848
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one (CID 135588854) is 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one is CN1CCC(Nc2nc3nc[nH]c(=O)c3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one?
The InChIKey is BIECQWSUGFDYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-24-8-6-14(7-9-24)22-18-23-16-15(17(26)21-11-20-16)25(18)10-12-2-4-13(19)5-3-12/h2-5,11,14H,6-10H2,1H3,(H2,20,21,22,23,26).
What are the key properties of 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one?
7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one has a molecular weight of 356.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one is sourced from PubChem (CID 135588854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).