(5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one

C18H22F3N3O2 — CID 124684488

IUPAC(5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
SMILESCN1C(=O)CC[C@@H](C(=O)N2CCNCC2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H22F3N3O2/c1-23-15(25)7-6-14(17(26)24-10-8-22-9-11-24)16(23)12-2-4-13(5-3-12)18(19,20)21/h2-5,14,16,22H,6-11H2,1H3/t14-,16?/m1/s1
InChIKeyGPZVORKUHLCYNW-IURRXHLWSA-N
MW369.39 g/mol
LogP2.05
Rot. Bonds2

About (5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one

(5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 124684488) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is (5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID124684488
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name(5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
SMILESCN1C(=O)CC[C@@H](C(=O)N2CCNCC2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H22F3N3O2/c1-23-15(25)7-6-14(17(26)24-10-8-22-9-11-24)16(23)12-2-4-13(5-3-12)18(19,20)21/h2-5,14,16,22H,6-11H2,1H3/t14-,16?/m1/s1
InChIKeyGPZVORKUHLCYNW-IURRXHLWSA-N
XLogP2.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of (5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one (CID 124684488) is (5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for (5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for (5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one is CN1C(=O)CC[C@@H](C(=O)N2CCNCC2)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is GPZVORKUHLCYNW-IURRXHLWSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-23-15(25)7-6-14(17(26)24-10-8-22-9-11-24)16(23)12-2-4-13(5-3-12)18(19,20)21/h2-5,14,16,22H,6-11H2,1H3/t14-,16?/m1/s1.
What are the key properties of (5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one?
(5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 369.39 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 124684488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).