1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one

C19H28FN3O2 — CID 45189456

IUPAC1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
SMILESCN1CCC(NCC2(O)CCCN(Cc3ccccc3F)C2=O)CC1
InChIInChI=1S/C19H28FN3O2/c1-22-11-7-16(8-12-22)21-14-19(25)9-4-10-23(18(19)24)13-15-5-2-3-6-17(15)20/h2-3,5-6,16,21,25H,4,7-14H2,1H3
InChIKeyRRGQGYVBUOYDJB-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.36
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one

1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one (PubChem CID 45189456) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
PubChem CID45189456
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
SMILESCN1CCC(NCC2(O)CCCN(Cc3ccccc3F)C2=O)CC1
InChIInChI=1S/C19H28FN3O2/c1-22-11-7-16(8-12-22)21-14-19(25)9-4-10-23(18(19)24)13-15-5-2-3-6-17(15)20/h2-3,5-6,16,21,25H,4,7-14H2,1H3
InChIKeyRRGQGYVBUOYDJB-UHFFFAOYSA-N
XLogP1.36
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one (CID 45189456) is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one is CN1CCC(NCC2(O)CCCN(Cc3ccccc3F)C2=O)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one?
The InChIKey is RRGQGYVBUOYDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-22-11-7-16(8-12-22)21-14-19(25)9-4-10-23(18(19)24)13-15-5-2-3-6-17(15)20/h2-3,5-6,16,21,25H,4,7-14H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one?
1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one has a molecular weight of 349.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 45189456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).