[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone

C17H20ClFN2O3 — CID 51329356

IUPAC[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H20ClFN2O3/c18-15-10-13(19)3-4-14(15)17(23)21-5-1-2-12(11-21)16(22)20-6-8-24-9-7-20/h3-4,10,12H,1-2,5-9,11H2
InChIKeyCEXVQIUXJHXIFV-UHFFFAOYSA-N
MW354.81 g/mol
LogP2.19
Rot. Bonds2

About [1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 51329356) has the molecular formula C17H20ClFN2O3 and a molecular weight of 354.81 g/mol. Its IUPAC name is [1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID51329356
Molecular FormulaC17H20ClFN2O3
Molecular Weight354.81 g/mol
Exact Mass354.11
IUPAC Name[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H20ClFN2O3/c18-15-10-13(19)3-4-14(15)17(23)21-5-1-2-12(11-21)16(22)20-6-8-24-9-7-20/h3-4,10,12H,1-2,5-9,11H2
InChIKeyCEXVQIUXJHXIFV-UHFFFAOYSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
(2-chloro-4-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130954
5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 77090270
methyl 1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylate
CID 112733669
[1-(2,4-difluoro-6-hydroxybenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 86861625
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
(2-chloro-4-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608526
(3-aminocyclohexyl)-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119756470
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 51329356) is [1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone is O=C(c1ccc(F)cc1Cl)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of [1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CEXVQIUXJHXIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O3/c18-15-10-13(19)3-4-14(15)17(23)21-5-1-2-12(11-21)16(22)20-6-8-24-9-7-20/h3-4,10,12H,1-2,5-9,11H2.
What are the key properties of [1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 354.81 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51329356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).