6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione

C25H30FN5O2 — CID 46869026

IUPAC6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCC(C)n1c(=O)nc(NC2CCN(Cc3ccccc3)CC2)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H30FN5O2/c1-18(2)31-24(32)28-23(30(25(31)33)17-20-8-10-21(26)11-9-20)27-22-12-14-29(15-13-22)16-19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3,(H,27,28,32)
InChIKeyMITMTWGXTHHTLE-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.25
Rot. Bonds7

About 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione

6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione (PubChem CID 46869026) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
PubChem CID46869026
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCC(C)n1c(=O)nc(NC2CCN(Cc3ccccc3)CC2)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H30FN5O2/c1-18(2)31-24(32)28-23(30(25(31)33)17-20-8-10-21(26)11-9-20)27-22-12-14-29(15-13-22)16-19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3,(H,27,28,32)
InChIKeyMITMTWGXTHHTLE-UHFFFAOYSA-N
XLogP3.25
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione with MolForge

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Related Compounds

(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
2-[2-[[1-[(4-Methylphenyl)methyl]-4,6-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677472
1-Benzyl-3-{3-[4-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393428
4-Benzylimino-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 146364023
1-(1-Benzyl-piperidin-4-yl)-4-(4-fluoro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10690200
1-(4''-Fluoro-4-biphenylmethyl)-3-[1-(4-methylbenzyl)-4-piperidinyl]urea
CID 44437494
2-(benzylamino)-8-methyl-4-phenyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 135427165
4-Ethylimino-6-(4-fluorophenyl)-1,3,5-triazinan-2-one
CID 136728217
4-[(3-Fluorophenyl)methylimino]-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 139421242
4-[(4-Fluorophenyl)methylimino]-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 139421326
4-[(2-Fluorophenyl)methylimino]-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 139421352
US20240010639, Example 13
CID 171034313

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione (CID 46869026) is 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione is CC(C)n1c(=O)nc(NC2CCN(Cc3ccccc3)CC2)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The InChIKey is MITMTWGXTHHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-18(2)31-24(32)28-23(30(25(31)33)17-20-8-10-21(26)11-9-20)27-22-12-14-29(15-13-22)16-19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3,(H,27,28,32).
What are the key properties of 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione has a molecular weight of 451.55 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 46869026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).