morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone

C24H25F3N2O4 — CID 38491442

IUPACmorpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H25F3N2O4/c25-24(26,27)19-4-2-6-21(16-19)33-20-5-1-3-18(15-20)23(31)28-9-7-17(8-10-28)22(30)29-11-13-32-14-12-29/h1-6,15-17H,7-14H2
InChIKeyYWWRDJMMKLTTBH-UHFFFAOYSA-N
MW462.47 g/mol
LogP4.21
Rot. Bonds4

About morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone

morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone (PubChem CID 38491442) has the molecular formula C24H25F3N2O4 and a molecular weight of 462.47 g/mol. Its IUPAC name is morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone
PubChem CID38491442
Molecular FormulaC24H25F3N2O4
Molecular Weight462.47 g/mol
Exact Mass462.18
IUPAC Namemorpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H25F3N2O4/c25-24(26,27)19-4-2-6-21(16-19)33-20-5-1-3-18(15-20)23(31)28-9-7-17(8-10-28)22(30)29-11-13-32-14-12-29/h1-6,15-17H,7-14H2
InChIKeyYWWRDJMMKLTTBH-UHFFFAOYSA-N
XLogP4.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 119560951
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119560950
[2-(hydroxymethyl)morpholin-4-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 71846639
4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid
CID 119239464
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 124611387
N-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidine-4-carboxamide
CID 33339548
morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone
CID 2900925
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 120814399
1,4-diazepan-1-yl-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119415426
2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide
CID 39511020

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone (CID 38491442) is morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone is O=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone?
The InChIKey is YWWRDJMMKLTTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O4/c25-24(26,27)19-4-2-6-21(16-19)33-20-5-1-3-18(15-20)23(31)28-9-7-17(8-10-28)22(30)29-11-13-32-14-12-29/h1-6,15-17H,7-14H2.
What are the key properties of morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone?
morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone has a molecular weight of 462.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 38491442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).