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

C21H27FN6O2 — CID 172591775

IUPAC4-[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(c4cc[nH]c(=O)c4)C3)n2)CC1
InChIInChI=1S/C21H27FN6O2/c1-14(29)27-9-5-17(6-10-27)25-21-24-12-18(22)20(26-21)28-8-2-3-16(13-28)15-4-7-23-19(30)11-15/h4,7,11-12,16-17H,2-3,5-6,8-10,13H2,1H3,(H,23,30)(H,24,25,26)
InChIKeyVLZUGXZEQGBFQG-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.11
Rot. Bonds4

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

4-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one (PubChem CID 172591775) has the molecular formula C21H27FN6O2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one
PubChem CID172591775
Molecular FormulaC21H27FN6O2
Molecular Weight414.49 g/mol
Exact Mass414.22
IUPAC Name4-[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(c4cc[nH]c(=O)c4)C3)n2)CC1
InChIInChI=1S/C21H27FN6O2/c1-14(29)27-9-5-17(6-10-27)25-21-24-12-18(22)20(26-21)28-8-2-3-16(13-28)15-4-7-23-19(30)11-15/h4,7,11-12,16-17H,2-3,5-6,8-10,13H2,1H3,(H,23,30)(H,24,25,26)
InChIKeyVLZUGXZEQGBFQG-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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one (CID 172591775) is 4-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[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(c4cc[nH]c(=O)c4)C3)n2)CC1.
What is the InChIKey of 4-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
The InChIKey is VLZUGXZEQGBFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O2/c1-14(29)27-9-5-17(6-10-27)25-21-24-12-18(22)20(26-21)28-8-2-3-16(13-28)15-4-7-23-19(30)11-15/h4,7,11-12,16-17H,2-3,5-6,8-10,13H2,1H3,(H,23,30)(H,24,25,26).
What are the key properties of 4-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one?
4-[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 4-[1-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]piperidin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 172591775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).