1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C19H21FN4O4 — CID 133359780

IUPAC1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1cc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C19H21FN4O4/c1-12-3-4-18(21-11-12)22-19(25)13-5-7-23(8-6-13)15-10-17(28-2)14(20)9-16(15)24(26)27/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,22,25)
InChIKeyOKKOLJWCMRHBKZ-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.30
Rot. Bonds5

About 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 133359780) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID133359780
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1cc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C19H21FN4O4/c1-12-3-4-18(21-11-12)22-19(25)13-5-7-23(8-6-13)15-10-17(28-2)14(20)9-16(15)24(26)27/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,22,25)
InChIKeyOKKOLJWCMRHBKZ-UHFFFAOYSA-N
XLogP3.30
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
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 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide 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)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133360652
(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
CID 133360025
(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)piperidin-4-amine
CID 63598851
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
methyl 1-(4-fluoro-5-methyl-2-nitrophenyl)piperidine-4-carboxylate
CID 103594323
1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
CID 17152713
N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide
CID 133360505
[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 71970970
1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine
CID 75426080
1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 154798177

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 133359780) is 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1cc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is OKKOLJWCMRHBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-12-3-4-18(21-11-12)22-19(25)13-5-7-23(8-6-13)15-10-17(28-2)14(20)9-16(15)24(26)27/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,22,25).
What are the key properties of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 133359780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).