1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine

C21H22N4O3 — CID 133430754

IUPAC1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine
SMILESCOc1cc(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C21H22N4O3/c1-28-20-12-17(9-10-19(20)25(26)27)24-11-5-8-16(14-24)21-22-13-18(23-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,16H,5,8,11,14H2,1H3,(H,22,23)
InChIKeyOUUQYYJILMMHLR-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.38
Rot. Bonds5

About 1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine

1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine (PubChem CID 133430754) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine
PubChem CID133430754
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine
SMILESCOc1cc(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C21H22N4O3/c1-28-20-12-17(9-10-19(20)25(26)27)24-11-5-8-16(14-24)21-22-13-18(23-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,16H,5,8,11,14H2,1H3,(H,22,23)
InChIKeyOUUQYYJILMMHLR-UHFFFAOYSA-N
XLogP4.38
TPSA84.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-(5-methylsulfonyl-3-nitrothiophen-2-yl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 133430803
6-nitro-7-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3H-quinazolin-4-one
CID 137272328
2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide
CID 133355928
2-methyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133430723
N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine
CID 154782534
(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
CID 71301761
1-(3-methoxy-4-nitrophenyl)azetidin-3-amine
CID 65249752
methyl 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]-2-methylpropanoate
CID 133444504
1-(3-methoxy-4-nitrophenyl)-2,5-dihydropyrrole
CID 175593834
1-(3-ethoxy-4-nitrophenyl)piperidin-3-amine
CID 63671363
2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 133401848
5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133430739

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine (CID 133430754) is 1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine is COc1cc(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine?
The InChIKey is OUUQYYJILMMHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-20-12-17(9-10-19(20)25(26)27)24-11-5-8-16(14-24)21-22-13-18(23-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,16H,5,8,11,14H2,1H3,(H,22,23).
What are the key properties of 1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine?
1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine has a molecular weight of 378.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 133430754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).