[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone

C18H21F3N2O3 — CID 120933033

IUPAC[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C18H21F3N2O3/c1-10-16(22-4-7-26-10)18(25)23-5-2-11(3-6-23)17(24)15-13(20)8-12(19)9-14(15)21/h8-11,16,22H,2-7H2,1H3/t10-,16+/m1/s1
InChIKeyVTMHAKVBEJLTDI-HWPZZCPQSA-N
MW370.37 g/mol
LogP1.90
Rot. Bonds3

About [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone

[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone (PubChem CID 120933033) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
PubChem CID120933033
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C18H21F3N2O3/c1-10-16(22-4-7-26-10)18(25)23-5-2-11(3-6-23)17(24)15-13(20)8-12(19)9-14(15)21/h8-11,16,22H,2-7H2,1H3/t10-,16+/m1/s1
InChIKeyVTMHAKVBEJLTDI-HWPZZCPQSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone
CID 120925889
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120920722
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120926032
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 119326130
[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 119787931
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120926045

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone (CID 120933033) is [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone is C[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1.
What is the InChIKey of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The InChIKey is VTMHAKVBEJLTDI-HWPZZCPQSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-10-16(22-4-7-26-10)18(25)23-5-2-11(3-6-23)17(24)15-13(20)8-12(19)9-14(15)21/h8-11,16,22H,2-7H2,1H3/t10-,16+/m1/s1.
What are the key properties of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone has a molecular weight of 370.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 120933033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).