[(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone

C32H38F3N3O4 — CID 69419857

IUPAC[(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
SMILESCOC[C@@H]1CN(CCN2CCN(C(=O)c3cc(OC)cc(C(F)(F)F)c3)[C@H](Cc3ccc4ccccc4c3)C2)CCO1
InChIInChI=1S/C32H38F3N3O4/c1-40-22-30-21-37(13-14-42-30)10-9-36-11-12-38(31(39)26-17-27(32(33,34)35)19-29(18-26)41-2)28(20-36)16-23-7-8-24-5-3-4-6-25(24)15-23/h3-8,15,17-19,28,30H,9-14,16,20-22H2,1-2H3/t28-,30+/m1/s1
InChIKeyCPSXNUAWGGTFLD-DGPALRBDSA-N
MW585.67 g/mol
LogP4.58
Rot. Bonds9

About [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone

[(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone (PubChem CID 69419857) has the molecular formula C32H38F3N3O4 and a molecular weight of 585.67 g/mol. Its IUPAC name is [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
PubChem CID69419857
Molecular FormulaC32H38F3N3O4
Molecular Weight585.67 g/mol
Exact Mass585.28
IUPAC Name[(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
SMILESCOC[C@@H]1CN(CCN2CCN(C(=O)c3cc(OC)cc(C(F)(F)F)c3)[C@H](Cc3ccc4ccccc4c3)C2)CCO1
InChIInChI=1S/C32H38F3N3O4/c1-40-22-30-21-37(13-14-42-30)10-9-36-11-12-38(31(39)26-17-27(32(33,34)35)19-29(18-26)41-2)28(20-36)16-23-7-8-24-5-3-4-6-25(24)15-23/h3-8,15,17-19,28,30H,9-14,16,20-22H2,1-2H3/t28-,30+/m1/s1
InChIKeyCPSXNUAWGGTFLD-DGPALRBDSA-N
XLogP4.58
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.67
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]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

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)ethane-1,2-dione
CID 155526437
(4-Methoxypiperidin-1-yl)(6-(3-(piperidin-1-yl)propoxy)naphthalen-2-yl)methanone
CID 11603948
(6-(1-Isopropylpiperidin-4-yloxy)naphthalen-2-yl)(4-methylpiperidin-1-yl)methanone
CID 11703903
(6-(1-Isopropylpiperidin-4-yloxy)naphthalen-2-yl)(morpholino)methanone
CID 44249906
(6-(1-Isopropylpiperidin-4-yloxy)naphthalen-2-yl)(4-methoxypiperidin-1-yl)methanone
CID 45269440
(6-(1-Isobutylpiperidin-4-yloxy)naphthalen-2-yl)(4-methylpiperidin-1-yl)methanone
CID 45271971
(4-(Hydroxymethyl)piperidin-1-yl)(6-(1-isopropylpiperidin-4-yloxy)naphthalen-2-yl)methanone
CID 45271991
2-({1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione hydrochloride
CID 2892066
2-[2-[4-[3-(2,3-Dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 2955709
2-[2-[4-[2-Hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 3654892
2-((1-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)propyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 3687256
CID 11979309
CID 11979309

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone (CID 69419857) is [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone is COC[C@@H]1CN(CCN2CCN(C(=O)c3cc(OC)cc(C(F)(F)F)c3)[C@H](Cc3ccc4ccccc4c3)C2)CCO1.
What is the InChIKey of [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is CPSXNUAWGGTFLD-DGPALRBDSA-N. The full InChI is InChI=1S/C32H38F3N3O4/c1-40-22-30-21-37(13-14-42-30)10-9-36-11-12-38(31(39)26-17-27(32(33,34)35)19-29(18-26)41-2)28(20-36)16-23-7-8-24-5-3-4-6-25(24)15-23/h3-8,15,17-19,28,30H,9-14,16,20-22H2,1-2H3/t28-,30+/m1/s1.
What are the key properties of [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone?
[(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 585.67 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 69419857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).