[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone

C16H19ClFN3O3 — CID 119756657

IUPAC[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C16H19ClFN3O3/c17-11-2-1-3-12(18)14(11)16(23)21-7-5-20(6-8-21)15(22)13-10-19-4-9-24-13/h1-3,13,19H,4-10H2
InChIKeyHSPQJBDWYJAWLC-UHFFFAOYSA-N
MW355.80 g/mol
LogP0.75
Rot. Bonds2

About [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone

[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone (PubChem CID 119756657) has the molecular formula C16H19ClFN3O3 and a molecular weight of 355.80 g/mol. Its IUPAC name is [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
PubChem CID119756657
Molecular FormulaC16H19ClFN3O3
Molecular Weight355.80 g/mol
Exact Mass355.11
IUPAC Name[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C16H19ClFN3O3/c17-11-2-1-3-12(18)14(11)16(23)21-7-5-20(6-8-21)15(22)13-10-19-4-9-24-13/h1-3,13,19H,4-10H2
InChIKeyHSPQJBDWYJAWLC-UHFFFAOYSA-N
XLogP0.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119720695
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119307921
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119747817
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119756635
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119678332
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119848066
(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930996
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119887901
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone (CID 119756657) is [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone is O=C(c1c(F)cccc1Cl)N1CCN(C(=O)C2CNCCO2)CC1.
What is the InChIKey of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is HSPQJBDWYJAWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O3/c17-11-2-1-3-12(18)14(11)16(23)21-7-5-20(6-8-21)15(22)13-10-19-4-9-24-13/h1-3,13,19H,4-10H2.
What are the key properties of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone?
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 355.80 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119756657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).