[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone

C22H24FN3O5 — CID 133345844

IUPAC[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C22H24FN3O5/c23-17-2-4-18(5-3-17)31-19-7-9-24(10-8-19)20-6-1-16(15-21(20)26(28)29)22(27)25-11-13-30-14-12-25/h1-6,15,19H,7-14H2
InChIKeyIQYSVPPIIQVEJI-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.25
Rot. Bonds5

About [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone

[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone (PubChem CID 133345844) has the molecular formula C22H24FN3O5 and a molecular weight of 429.45 g/mol. Its IUPAC name is [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone
PubChem CID133345844
Molecular FormulaC22H24FN3O5
Molecular Weight429.45 g/mol
Exact Mass429.17
IUPAC Name[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C22H24FN3O5/c23-17-2-4-18(5-3-17)31-19-7-9-24(10-8-19)20-6-1-16(15-21(20)26(28)29)22(27)25-11-13-30-14-12-25/h1-6,15,19H,7-14H2
InChIKeyIQYSVPPIIQVEJI-UHFFFAOYSA-N
XLogP3.25
TPSA85.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 9081821
[4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133480607
[4-(4-fluorophenyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 7494443
[4-(3,5-dimethylpiperidin-1-yl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 78777281
(4-fluorophenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
CID 2960844
[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133345932
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(4-morpholin-4-yl-3-nitrobenzoyl)piperidin-4-yl]methanone
CID 16606399
[4-(4-but-3-ynylpiperazin-1-yl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133453751
[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 17116481
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate
CID 5092383
1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine
CID 133345786
morpholin-4-yl-[3-nitro-4-(4-propyl-1,4-diazepan-1-yl)phenyl]methanone
CID 133322486

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone (CID 133345844) is [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone is O=C(c1ccc(N2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1)N1CCOCC1.
What is the InChIKey of [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone?
The InChIKey is IQYSVPPIIQVEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5/c23-17-2-4-18(5-3-17)31-19-7-9-24(10-8-19)20-6-1-16(15-21(20)26(28)29)22(27)25-11-13-30-14-12-25/h1-6,15,19H,7-14H2.
What are the key properties of [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone?
[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone has a molecular weight of 429.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133345844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).