(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one

C21H23FN4O2 — CID 25284684

IUPAC(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1cnc2ccccn12
InChIInChI=1S/C21H23FN4O2/c22-17-7-5-16(6-8-17)14-25-10-3-9-21(28,20(25)27)15-23-12-18-13-24-19-4-1-2-11-26(18)19/h1-2,4-8,11,13,23,28H,3,9-10,12,14-15H2/t21-/m0/s1
InChIKeyOHFXDXZMLYWCNB-NRFANRHFSA-N
MW382.44 g/mol
LogP2.12
Rot. Bonds6

About (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one

(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one (PubChem CID 25284684) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
PubChem CID25284684
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1cnc2ccccn12
InChIInChI=1S/C21H23FN4O2/c22-17-7-5-16(6-8-17)14-25-10-3-9-21(28,20(25)27)15-23-12-18-13-24-19-4-1-2-11-26(18)19/h1-2,4-8,11,13,23,28H,3,9-10,12,14-15H2/t21-/m0/s1
InChIKeyOHFXDXZMLYWCNB-NRFANRHFSA-N
XLogP2.12
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?
The IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one (CID 25284684) is (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one is O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1cnc2ccccn12.
What is the InChIKey of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?
The InChIKey is OHFXDXZMLYWCNB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-17-7-5-16(6-8-17)14-25-10-3-9-21(28,20(25)27)15-23-12-18-13-24-19-4-1-2-11-26(18)19/h1-2,4-8,11,13,23,28H,3,9-10,12,14-15H2/t21-/m0/s1.
What are the key properties of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one has a molecular weight of 382.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one is sourced from PubChem (CID 25284684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).