morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride

C17H21ClF3N3O3 — CID 119729255

IUPACmorpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C17H20F3N3O3.ClH/c18-17(19,20)13-3-1-12(2-4-13)15(24)22-6-8-23(9-7-22)16(25)14-11-26-10-5-21-14;/h1-4,14,21H,5-11H2;1H
InChIKeySBXQXZVRGBZSJB-UHFFFAOYSA-N
MW407.82 g/mol
LogP1.40
Rot. Bonds2

About morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride

morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 119729255) has the molecular formula C17H21ClF3N3O3 and a molecular weight of 407.82 g/mol. Its IUPAC name is morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namemorpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID119729255
Molecular FormulaC17H21ClF3N3O3
Molecular Weight407.82 g/mol
Exact Mass407.12
IUPAC Namemorpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C17H20F3N3O3.ClH/c18-17(19,20)13-3-1-12(2-4-13)15(24)22-6-8-23(9-7-22)16(25)14-11-26-10-5-21-14;/h1-4,14,21H,5-11H2;1H
InChIKeySBXQXZVRGBZSJB-UHFFFAOYSA-N
XLogP1.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.82
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119710339
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119743440
[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119710613
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119754847
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686

Frequently Asked Questions

What is the IUPAC name of morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride (CID 119729255) is morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is SBXQXZVRGBZSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3.ClH/c18-17(19,20)13-3-1-12(2-4-13)15(24)22-6-8-23(9-7-22)16(25)14-11-26-10-5-21-14;/h1-4,14,21H,5-11H2;1H.
What are the key properties of morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride?
morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 407.82 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119729255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).