(3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one

C16H21FN2O2 — CID 25381481

IUPAC(3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNC1CC1
InChIInChI=1S/C16H21FN2O2/c17-13-4-2-12(3-5-13)10-19-9-1-8-16(21,15(19)20)11-18-14-6-7-14/h2-5,14,18,21H,1,6-11H2/t16-/m1/s1
InChIKeyQLKLEGCSOGXXER-MRXNPFEDSA-N
MW292.35 g/mol
LogP1.43
Rot. Bonds5

About (3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one

(3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one (PubChem CID 25381481) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
PubChem CID25381481
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNC1CC1
InChIInChI=1S/C16H21FN2O2/c17-13-4-2-12(3-5-13)10-19-9-1-8-16(21,15(19)20)11-18-14-6-7-14/h2-5,14,18,21H,1,6-11H2/t16-/m1/s1
InChIKeyQLKLEGCSOGXXER-MRXNPFEDSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one (CID 25381481) is (3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one is O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNC1CC1.
What is the InChIKey of (3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is QLKLEGCSOGXXER-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-13-4-2-12(3-5-13)10-19-9-1-8-16(21,15(19)20)11-18-14-6-7-14/h2-5,14,18,21H,1,6-11H2/t16-/m1/s1.
What are the key properties of (3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
(3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 292.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 25381481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).