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

C19H26FN5O2 — CID 58578632

IUPAC1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCC(C)n1c(=O)nc(NC2CCN(C)CC2)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H26FN5O2/c1-13(2)25-18(26)22-17(21-16-8-10-23(3)11-9-16)24(19(25)27)12-14-4-6-15(20)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,21,22,26)
InChIKeyPZKFCQLWBAXUBP-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.68
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione (PubChem CID 58578632) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione
PubChem CID58578632
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC Name1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCC(C)n1c(=O)nc(NC2CCN(C)CC2)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H26FN5O2/c1-13(2)25-18(26)22-17(21-16-8-10-23(3)11-9-16)24(19(25)27)12-14-4-6-15(20)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,21,22,26)
InChIKeyPZKFCQLWBAXUBP-UHFFFAOYSA-N
XLogP1.68
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
(8R)-8-ethyl-4-methyl-2-phenyl-3a,7,8,9b-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 168274222
4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 118577456
4-Benzylimino-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 146364023
N-butyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 6467378
8-(3-Aminopiperidin-1-yl)-7-benzyl-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 44418138
7-Benzyl-8-(1,4-diazepan-1-yl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 44418182
8-[3-(Aminomethyl)piperidin-1-yl]-7-benzyl-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 44418206
1-Benzyl-3-[8-(4-imino-2-oxo-1,3,5-triazacyclotridec-1-yl)octyl]guanidine
CID 44225597
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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione (CID 58578632) is 1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione is CC(C)n1c(=O)nc(NC2CCN(C)CC2)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The InChIKey is PZKFCQLWBAXUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-13(2)25-18(26)22-17(21-16-8-10-23(3)11-9-16)24(19(25)27)12-14-4-6-15(20)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,21,22,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione has a molecular weight of 375.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58578632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).