1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine

C25H31N5O2 — CID 92569436

IUPAC1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine
SMILESO=[N+]([O-])c1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1
InChIInChI=1S/C25H31N5O2/c31-30(32)22-14-12-21(13-15-22)29-23(20-10-4-1-5-11-20)26-24(27-16-6-2-7-17-27)25(29)28-18-8-3-9-19-28/h1,4-5,10-15,24-25H,2-3,6-9,16-19H2/t24-,25-/m1/s1
InChIKeyWJRWIWYSOBDDOG-JWQCQUIFSA-N
MW433.56 g/mol
LogP4.49
Rot. Bonds5

About 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine

1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine (PubChem CID 92569436) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine.

Molecular Properties

Compound Name1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine
PubChem CID92569436
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine
SMILESO=[N+]([O-])c1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1
InChIInChI=1S/C25H31N5O2/c31-30(32)22-14-12-21(13-15-22)29-23(20-10-4-1-5-11-20)26-24(27-16-6-2-7-17-27)25(29)28-18-8-3-9-19-28/h1,4-5,10-15,24-25H,2-3,6-9,16-19H2/t24-,25-/m1/s1
InChIKeyWJRWIWYSOBDDOG-JWQCQUIFSA-N
XLogP4.49
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.49
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 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine 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

4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine
CID 13117641
1-(4-nitrophenyl)-5-pyrrolidin-1-yl-4-(pyrrolidin-1-ylmethyl)-4,5-dihydrotriazole
CID 12582044
1-[4-(4-nitrophenyl)phenyl]piperidine
CID 22899688
1-methyl-3-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 14872022
2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-3-carbonitrile
CID 3129449
[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 5152218
(3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 7310610
cyclohexane;ethene;nitrobenzene
CID 174971101
5-(4-methylphenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-yl-2H-1,3-thiazole
CID 10094064
1-(4-nitrophenyl)-3,4,5-triphenylpyrazole
CID 59515058
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
6-nitro-4-phenyl-2-piperidin-1-ylquinazoline
CID 2893917

Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine?
The IUPAC name of 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine (CID 92569436) is 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine.
What is the SMILES notation for 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine?
The canonical SMILES for 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine is O=[N+]([O-])c1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1.
What is the InChIKey of 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine?
The InChIKey is WJRWIWYSOBDDOG-JWQCQUIFSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-30(32)22-14-12-21(13-15-22)29-23(20-10-4-1-5-11-20)26-24(27-16-6-2-7-17-27)25(29)28-18-8-3-9-19-28/h1,4-5,10-15,24-25H,2-3,6-9,16-19H2/t24-,25-/m1/s1.
What are the key properties of 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine?
1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine has a molecular weight of 433.56 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5R)-1-(4-nitrophenyl)-2-phenyl-5-piperidin-1-yl-4,5-dihydroimidazol-4-yl]piperidine is sourced from PubChem (CID 92569436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).