2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one

C24H27FN4O — CID 135879896

IUPAC2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCNC2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)n1
InChIInChI=1S/C24H27FN4O/c1-17-15-24(30)28-23(27-17)9-12-26-21-10-13-29(14-11-21)22-7-5-18(6-8-22)19-3-2-4-20(25)16-19/h2-8,15-16,21,26H,9-14H2,1H3,(H,27,28,30)
InChIKeyQSYXSBCQDNBTFT-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one

2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135879896) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135879896
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCNC2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)n1
InChIInChI=1S/C24H27FN4O/c1-17-15-24(30)28-23(27-17)9-12-26-21-10-13-29(14-11-21)22-7-5-18(6-8-22)19-3-2-4-20(25)16-19/h2-8,15-16,21,26H,9-14H2,1H3,(H,27,28,30)
InChIKeyQSYXSBCQDNBTFT-UHFFFAOYSA-N
XLogP3.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-[methyl-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]amino]-1H-pyrimidin-6-one
CID 137175146
US10023543, Example 91
CID 123302140
US10023543, Example 90
CID 123977477
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide
CID 3749515
3-({3-[(4-isopropylphenyl)amino]-1-piperidinyl}carbonyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 24817289
2-[7-Benzyl-4-oxo-2-(propan-2-YL)-3H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-3-YL]-N-(3-fluorophenyl)acetamide
CID 50826259
4-(4-fluorophenyl)-8-methyl-2-[(4-methylphenyl)amino]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 4886925
3-[3-Fluoro-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2,6-dimethylpyrimidin-4-one
CID 118188319
3-[3-Fluoro-4-[4-[(3-methylphenyl)methyl]piperidin-1-yl]phenyl]-2,6-dimethylpyrimidin-4-one
CID 118188353
3-[2-(8-Fluoro-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 9842746
7-Methyl-2-[(2-phenylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17534373
2-{7-Benzyl-2-methyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-3-YL}-N-(4-fluorophenyl)acetamide
CID 46962442

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one (CID 135879896) is 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CCNC2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)n1.
What is the InChIKey of 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QSYXSBCQDNBTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-17-15-24(30)28-23(27-17)9-12-26-21-10-13-29(14-11-21)22-7-5-18(6-8-22)19-3-2-4-20(25)16-19/h2-8,15-16,21,26H,9-14H2,1H3,(H,27,28,30).
What are the key properties of 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 406.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135879896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).