5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one

C21H27FN6O2 — CID 172592633

IUPAC5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one
SMILESCC(=O)N1CCC(Nc2ncc(F)c(N3CCCC(c4ccc(=O)[nH]c4)C3)n2)CC1
InChIInChI=1S/C21H27FN6O2/c1-14(29)27-9-6-17(7-10-27)25-21-24-12-18(22)20(26-21)28-8-2-3-16(13-28)15-4-5-19(30)23-11-15/h4-5,11-12,16-17H,2-3,6-10,13H2,1H3,(H,23,30)(H,24,25,26)
InChIKeyOVEVTHXITLKKPQ-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.11
Rot. Bonds4

About 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one

5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one (PubChem CID 172592633) has the molecular formula C21H27FN6O2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one
PubChem CID172592633
Molecular FormulaC21H27FN6O2
Molecular Weight414.49 g/mol
Exact Mass414.22
IUPAC Name5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one
SMILESCC(=O)N1CCC(Nc2ncc(F)c(N3CCCC(c4ccc(=O)[nH]c4)C3)n2)CC1
InChIInChI=1S/C21H27FN6O2/c1-14(29)27-9-6-17(7-10-27)25-21-24-12-18(22)20(26-21)28-8-2-3-16(13-28)15-4-5-19(30)23-11-15/h4-5,11-12,16-17H,2-3,6-10,13H2,1H3,(H,23,30)(H,24,25,26)
InChIKeyOVEVTHXITLKKPQ-UHFFFAOYSA-N
XLogP2.11
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

2-[[1-(2-Methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146819
N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
CID 118146871
4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 118146872
US10233188, Example 44
CID 134247543
US10233188, Example 45
CID 134247610
2-(Piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178090
2-[(1-Methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178089
US11530193, Example 76
CID 150726878
1-methyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 45824515
6-[(5-Ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 118738946
1-Methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118738949
1-(Cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118738951

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one (CID 172592633) is 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one is CC(=O)N1CCC(Nc2ncc(F)c(N3CCCC(c4ccc(=O)[nH]c4)C3)n2)CC1.
What is the InChIKey of 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
The InChIKey is OVEVTHXITLKKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O2/c1-14(29)27-9-6-17(7-10-27)25-21-24-12-18(22)20(26-21)28-8-2-3-16(13-28)15-4-5-19(30)23-11-15/h4-5,11-12,16-17H,2-3,6-10,13H2,1H3,(H,23,30)(H,24,25,26).
What are the key properties of 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one has a molecular weight of 414.49 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 172592633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).