morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone

C17H19Cl3N2O4 — CID 112820830

IUPACmorpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1c(O)c(Cl)cc(Cl)c1Cl)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H19Cl3N2O4/c18-11-9-12(19)15(23)13(14(11)20)17(25)21-3-1-10(2-4-21)16(24)22-5-7-26-8-6-22/h9-10,23H,1-8H2
InChIKeyCDFZBLQGYMGLBT-UHFFFAOYSA-N
MW421.71 g/mol
LogP3.06
Rot. Bonds2

About morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone

morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone (PubChem CID 112820830) has the molecular formula C17H19Cl3N2O4 and a molecular weight of 421.71 g/mol. Its IUPAC name is morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone
PubChem CID112820830
Molecular FormulaC17H19Cl3N2O4
Molecular Weight421.71 g/mol
Exact Mass420.04
IUPAC Namemorpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1c(O)c(Cl)cc(Cl)c1Cl)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H19Cl3N2O4/c18-11-9-12(19)15(23)13(14(11)20)17(25)21-3-1-10(2-4-21)16(24)22-5-7-26-8-6-22/h9-10,23H,1-8H2
InChIKeyCDFZBLQGYMGLBT-UHFFFAOYSA-N
XLogP3.06
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51275657
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
[1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 55854581
[1-(2-hydroxy-4-propan-2-ylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 47051901
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
[1-[1-(2-chloro-4-nitrobenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42881304
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
2-(2-chloro-6-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 78785496
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013
[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490689
[1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 52718033

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone (CID 112820830) is morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone is O=C(c1c(O)c(Cl)cc(Cl)c1Cl)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is CDFZBLQGYMGLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl3N2O4/c18-11-9-12(19)15(23)13(14(11)20)17(25)21-3-1-10(2-4-21)16(24)22-5-7-26-8-6-22/h9-10,23H,1-8H2.
What are the key properties of morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone?
morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 421.71 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 112820830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).