(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one

C18H23F3N2O2 — CID 26392288

IUPAC(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
SMILESO=C1N(CC2CC2)CCC[C@@]1(O)CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)15-6-4-13(5-7-15)10-22-12-17(25)8-1-9-23(16(17)24)11-14-2-3-14/h4-7,14,22,25H,1-3,8-12H2/t17-/m1/s1
InChIKeyNOBQKGZPHAINLI-QGZVFWFLSA-N
MW356.39 g/mol
LogP2.56
Rot. Bonds6

About (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one

(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one (PubChem CID 26392288) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
PubChem CID26392288
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
SMILESO=C1N(CC2CC2)CCC[C@@]1(O)CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)15-6-4-13(5-7-15)10-22-12-17(25)8-1-9-23(16(17)24)11-14-2-3-14/h4-7,14,22,25H,1-3,8-12H2/t17-/m1/s1
InChIKeyNOBQKGZPHAINLI-QGZVFWFLSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one (CID 26392288) is (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one is O=C1N(CC2CC2)CCC[C@@]1(O)CNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one?
The InChIKey is NOBQKGZPHAINLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)15-6-4-13(5-7-15)10-22-12-17(25)8-1-9-23(16(17)24)11-14-2-3-14/h4-7,14,22,25H,1-3,8-12H2/t17-/m1/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one?
(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one has a molecular weight of 356.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 26392288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).