(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone

C19H18ClFN2O4 — CID 133360025

IUPAC(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
SMILESCOc1cc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C19H18ClFN2O4/c1-27-18-11-16(17(23(25)26)10-15(18)21)22-8-6-13(7-9-22)19(24)12-2-4-14(20)5-3-12/h2-5,10-11,13H,6-9H2,1H3
InChIKeyFMVVWKIPIRFCBW-UHFFFAOYSA-N
MW392.81 g/mol
LogP4.50
Rot. Bonds5

About (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone (PubChem CID 133360025) has the molecular formula C19H18ClFN2O4 and a molecular weight of 392.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
PubChem CID133360025
Molecular FormulaC19H18ClFN2O4
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Name(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
SMILESCOc1cc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C19H18ClFN2O4/c1-27-18-11-16(17(23(25)26)10-15(18)21)22-8-6-13(7-9-22)19(24)12-2-4-14(20)5-3-12/h2-5,10-11,13H,6-9H2,1H3
InChIKeyFMVVWKIPIRFCBW-UHFFFAOYSA-N
XLogP4.50
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone 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

1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
CID 133373091
1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133360652
(2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
CID 133373817
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133359780
2-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]benzonitrile
CID 133360839
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
(3-chlorophenyl)-[4-(4-fluoro-5-methoxy-2-nitrophenyl)-1,4-diazepan-1-yl]methanone
CID 133360121
[1-(4-bromo-2-nitrophenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 55501451
(2-chlorophenyl)-[4-(4-fluoro-5-methoxy-2-nitrophenyl)-1,4-diazepan-1-yl]methanone
CID 133360093
(2-chloro-4-fluorophenyl)-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
CID 133360595
1-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133373587

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone (CID 133360025) is (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone is COc1cc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone?
The InChIKey is FMVVWKIPIRFCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O4/c1-27-18-11-16(17(23(25)26)10-15(18)21)22-8-6-13(7-9-22)19(24)12-2-4-14(20)5-3-12/h2-5,10-11,13H,6-9H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone has a molecular weight of 392.81 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone is sourced from PubChem (CID 133360025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).