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

C21H27FN6O2 — CID 172590393

IUPAC3-[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[nH]c4=O)C3)n2)CC1
InChIInChI=1S/C21H27FN6O2/c1-14(29)27-10-6-16(7-11-27)25-21-24-12-18(22)19(26-21)28-9-3-4-15(13-28)17-5-2-8-23-20(17)30/h2,5,8,12,15-16H,3-4,6-7,9-11,13H2,1H3,(H,23,30)(H,24,25,26)
InChIKeyUEWQCVCTKCDGSR-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.11
Rot. Bonds4

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

3-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one (PubChem CID 172590393) has the molecular formula C21H27FN6O2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 3-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one
PubChem CID172590393
Molecular FormulaC21H27FN6O2
Molecular Weight414.49 g/mol
Exact Mass414.22
IUPAC Name3-[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[nH]c4=O)C3)n2)CC1
InChIInChI=1S/C21H27FN6O2/c1-14(29)27-10-6-16(7-11-27)25-21-24-12-18(22)19(26-21)28-9-3-4-15(13-28)17-5-2-8-23-20(17)30/h2,5,8,12,15-16H,3-4,6-7,9-11,13H2,1H3,(H,23,30)(H,24,25,26)
InChIKeyUEWQCVCTKCDGSR-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 3-[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

US11530193, Example 83
CID 150471776
US11530193, Example 80
CID 150770085
US11530193, Example 82
CID 150604500
US11530193, Example 76
CID 150726878
US12421210, Example 211
CID 162501580
US20240351997, Example 38
CID 167442970
1-(1-(2-((1-acetylpiperidin-4-yl)amino)-5-fluoropyrimidin-4-yl)piperidin-3-yl)pyridin-2(1H)-one
CID 172589892
4-(1-(2-((1-acetylpiperidin-4-yl)amino)-5-fluoropyrimidin-4-yl)piperidin-3-yl)pyridin-2(1H)-one
CID 172591775
5-(1-(2-((1-acetylpiperidin-4-yl)amino)-5-fluoropyrimidin-4-yl)piperidin-3-yl)pyridin-2(1H)-one
CID 172592633
US20250333394, Example 13
CID 177766255
US20250333394, Example 4
CID 177766256
US20250333394, Example 8
CID 177766258

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one (CID 172590393) is 3-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[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[nH]c4=O)C3)n2)CC1.
What is the InChIKey of 3-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
The InChIKey is UEWQCVCTKCDGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O2/c1-14(29)27-10-6-16(7-11-27)25-21-24-12-18(22)19(26-21)28-9-3-4-15(13-28)17-5-2-8-23-20(17)30/h2,5,8,12,15-16H,3-4,6-7,9-11,13H2,1H3,(H,23,30)(H,24,25,26).
What are the key properties of 3-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
3-[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 3-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 172590393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).