1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one

C20H22FN5O2 — CID 56757392

IUPAC1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCCC1(O)CNCc1cnn2cccnc12
InChIInChI=1S/C20H22FN5O2/c21-17-5-3-15(4-6-17)13-25-9-1-7-20(28,19(25)27)14-22-11-16-12-24-26-10-2-8-23-18(16)26/h2-6,8,10,12,22,28H,1,7,9,11,13-14H2
InChIKeyAJAJJBWDXGXEFG-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.51
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one

1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one (PubChem CID 56757392) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one
PubChem CID56757392
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCCC1(O)CNCc1cnn2cccnc12
InChIInChI=1S/C20H22FN5O2/c21-17-5-3-15(4-6-17)13-25-9-1-7-20(28,19(25)27)14-22-11-16-12-24-26-10-2-8-23-18(16)26/h2-6,8,10,12,22,28H,1,7,9,11,13-14H2
InChIKeyAJAJJBWDXGXEFG-UHFFFAOYSA-N
XLogP1.51
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one with MolForge

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Related Compounds

(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 25284684
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
CID 25366923
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one
CID 45204911
(3S)-3-[(cyclobutylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 26396288
(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 95199668
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]piperidin-2-one
CID 45245501
3-[[2-(2,5-dimethylphenyl)ethylamino]methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 56756727
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1H-benzimidazol-2-yl)methylamino]methyl]piperidin-2-one
CID 95201048
3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 56710296
(3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 26405267
(3S)-3-[[(2-amino-3-pyridinyl)methylamino]methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 95228887
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one (CID 56757392) is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one is O=C1N(Cc2ccc(F)cc2)CCCC1(O)CNCc1cnn2cccnc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one?
The InChIKey is AJAJJBWDXGXEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-17-5-3-15(4-6-17)13-25-9-1-7-20(28,19(25)27)14-22-11-16-12-24-26-10-2-8-23-18(16)26/h2-6,8,10,12,22,28H,1,7,9,11,13-14H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one?
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one has a molecular weight of 383.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one is sourced from PubChem (CID 56757392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).