[2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone

C23H26FN3O4 — CID 55585139

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone
SMILESCC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCOC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C23H26FN3O4/c1-16-8-10-25(11-9-16)21-7-6-19(27(29)30)14-20(21)23(28)26-12-13-31-22(15-26)17-2-4-18(24)5-3-17/h2-7,14,16,22H,8-13,15H2,1H3
InChIKeyRWPWVCSLDJIRDC-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.18
Rot. Bonds4

About [2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone

[2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone (PubChem CID 55585139) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone
PubChem CID55585139
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone
SMILESCC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCOC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C23H26FN3O4/c1-16-8-10-25(11-9-16)21-7-6-19(27(29)30)14-20(21)23(28)26-12-13-31-22(15-26)17-2-4-18(24)5-3-17/h2-7,14,16,22H,8-13,15H2,1H3
InChIKeyRWPWVCSLDJIRDC-UHFFFAOYSA-N
XLogP4.18
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxypiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone
CID 110878627
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone
CID 38376096
(4-methylpiperidin-1-yl)-(5-nitro-2-piperidin-1-ylphenyl)methanone
CID 51143218
(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 46579200
N-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 9209368
[2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155945273
N-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26360859
2-[4-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 31428060
[4-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574519
1-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]-N-phenylpiperidine-3-carboxamide
CID 42924924
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374133
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374136

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone (CID 55585139) is [2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone is CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCOC(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone?
The InChIKey is RWPWVCSLDJIRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-16-8-10-25(11-9-16)21-7-6-19(27(29)30)14-20(21)23(28)26-12-13-31-22(15-26)17-2-4-18(24)5-3-17/h2-7,14,16,22H,8-13,15H2,1H3.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone has a molecular weight of 427.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone is sourced from PubChem (CID 55585139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).