6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine

C23H23N3O4 — CID 141094686

IUPAC6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine
SMILESCOc1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])c(N4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C23H23N3O4/c1-29-19-9-5-17(6-10-19)18-7-11-20(12-8-18)30-22-14-13-21(26(27)28)23(24-22)25-15-3-2-4-16-25/h5-14H,2-4,15-16H2,1H3
InChIKeyJDNNVNKZTFGKEC-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.45
Rot. Bonds6

About 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine

6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine (PubChem CID 141094686) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine
PubChem CID141094686
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine
SMILESCOc1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])c(N4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C23H23N3O4/c1-29-19-9-5-17(6-10-19)18-7-11-20(12-8-18)30-22-14-13-21(26(27)28)23(24-22)25-15-3-2-4-16-25/h5-14H,2-4,15-16H2,1H3
InChIKeyJDNNVNKZTFGKEC-UHFFFAOYSA-N
XLogP5.45
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.45
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 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine 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

ethyl [1-[6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-pyridinyl]piperidin-4-yl] carbonate
CID 69152966
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405
4-(4-methoxyphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine
CID 23489310
1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115323328
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
1-(3-chloropropyl)-4-(6-methoxy-3-nitro-2-pyridinyl)piperazine
CID 110184367
6-(azepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 114403402
N-(5-methoxy-2-nitrophenyl)piperidin-1-amine
CID 83026142
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
CID 10560813

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine?
The IUPAC name of 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine (CID 141094686) is 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine?
The canonical SMILES for 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine is COc1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])c(N4CCCCC4)n3)cc2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine?
The InChIKey is JDNNVNKZTFGKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-19-9-5-17(6-10-19)18-7-11-20(12-8-18)30-22-14-13-21(26(27)28)23(24-22)25-15-3-2-4-16-25/h5-14H,2-4,15-16H2,1H3.
What are the key properties of 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine?
6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine has a molecular weight of 405.45 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine is sourced from PubChem (CID 141094686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).