N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide

C21H25FN4O3 — CID 135907202

IUPACN-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESCc1nc(C)c(CC(=O)N2CCCC(CNC(=O)c3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C21H25FN4O3/c1-13-18(21(29)25-14(2)24-13)10-19(27)26-9-3-4-15(12-26)11-23-20(28)16-5-7-17(22)8-6-16/h5-8,15H,3-4,9-12H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKeyQFSNBAXMZNZRHF-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.74
Rot. Bonds5

About N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide

N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide (PubChem CID 135907202) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide
PubChem CID135907202
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC NameN-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESCc1nc(C)c(CC(=O)N2CCCC(CNC(=O)c3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C21H25FN4O3/c1-13-18(21(29)25-14(2)24-13)10-19(27)26-9-3-4-15(12-26)11-23-20(28)16-5-7-17(22)8-6-16/h5-8,15H,3-4,9-12H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKeyQFSNBAXMZNZRHF-UHFFFAOYSA-N
XLogP1.74
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide with MolForge

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Related Compounds

2-(4-benzoyl-1-methylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677544
2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429226
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
1-(3-(4-Oxo-3,4-dihydroquinazolin-2-yl)propanoyl)piperidine-4-carboxamide
CID 135462119
N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135512369
6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one
CID 136928771
3-(4-Hydroxyquinazolin-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 135402471
2-[3-[4-(Trifluoromethyl)piperidine-1-carbonyl]phenyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137129896
2,6-difluoro-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030255
3,4-difluoro-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030257
2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one
CID 137298675
2-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1H-quinazolin-4-one
CID 135413937

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide (CID 135907202) is N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide is Cc1nc(C)c(CC(=O)N2CCCC(CNC(=O)c3ccc(F)cc3)C2)c(=O)[nH]1.
What is the InChIKey of N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide?
The InChIKey is QFSNBAXMZNZRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-13-18(21(29)25-14(2)24-13)10-19(27)26-9-3-4-15(12-26)11-23-20(28)16-5-7-17(22)8-6-16/h5-8,15H,3-4,9-12H2,1-2H3,(H,23,28)(H,24,25,29).
What are the key properties of N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide?
N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide has a molecular weight of 400.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 135907202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).