1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine

C23H35N3O — CID 95144049

IUPAC1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine
SMILESCCC[C@@H](C)c1c(-c2ccccc2)ncn1CCCOC1CCN(C)CC1
InChIInChI=1S/C23H35N3O/c1-4-9-19(2)23-22(20-10-6-5-7-11-20)24-18-26(23)14-8-17-27-21-12-15-25(3)16-13-21/h5-7,10-11,18-19,21H,4,8-9,12-17H2,1-3H3/t19-/m1/s1
InChIKeyJDPRPQKMTROARJ-LJQANCHMSA-N
MW369.55 g/mol
LogP4.95
Rot. Bonds9

About 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine

1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine (PubChem CID 95144049) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine
PubChem CID95144049
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine
SMILESCCC[C@@H](C)c1c(-c2ccccc2)ncn1CCCOC1CCN(C)CC1
InChIInChI=1S/C23H35N3O/c1-4-9-19(2)23-22(20-10-6-5-7-11-20)24-18-26(23)14-8-17-27-21-12-15-25(3)16-13-21/h5-7,10-11,18-19,21H,4,8-9,12-17H2,1-3H3/t19-/m1/s1
InChIKeyJDPRPQKMTROARJ-LJQANCHMSA-N
XLogP4.95
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine?
The IUPAC name of 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine (CID 95144049) is 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine.
What is the SMILES notation for 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine?
The canonical SMILES for 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine is CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCCOC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine?
The InChIKey is JDPRPQKMTROARJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H35N3O/c1-4-9-19(2)23-22(20-10-6-5-7-11-20)24-18-26(23)14-8-17-27-21-12-15-25(3)16-13-21/h5-7,10-11,18-19,21H,4,8-9,12-17H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine?
1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine has a molecular weight of 369.55 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine is sourced from PubChem (CID 95144049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).