propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate

C25H29N3O2 — CID 10179322

IUPACpropyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-2-19-30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)20-21-9-5-3-6-10-21/h3-12,15,18H,2,13-14,16-17,19-20H2,1H3
InChIKeyMYVZSNZLGIJIOS-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.86
Rot. Bonds6

About propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate

propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate (PubChem CID 10179322) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate
PubChem CID10179322
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Namepropyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-2-19-30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)20-21-9-5-3-6-10-21/h3-12,15,18H,2,13-14,16-17,19-20H2,1H3
InChIKeyMYVZSNZLGIJIOS-UHFFFAOYSA-N
XLogP4.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1H-imidazol-1-yl)carbonyl]-4-(diphenylmethyl)piperazine
CID 70148936
(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)(phenyl)methanone
CID 9802297
ethyl 4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 9843334
isopropyl 4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 10179323
ethyl 4-(1-(4-hydroxybenzyl)-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 10201299
(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 11166820
ethyl 4-phenyl-4-(1-(1-phenylethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 11246669
1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)-2-methoxyethanone
CID 11280721
2-methoxy-1-(4-phenyl-4-(1-(1-phenylethyl)-1H-imidazol-2-yl)piperidin-1-yl)ethanone
CID 11373068
phenyl(4-phenyl-4-(1-(1-phenylethyl)-1H-imidazol-2-yl)piperidin-1-yl)methanone
CID 11430490
2-Benzhydryl-1-[(3-methylphenyl)methyl]imidazole
CID 24947490
2-Benzhydryl-1-(1-phenylethyl)imidazole
CID 25017910

Frequently Asked Questions

What is the IUPAC name of propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate?
The IUPAC name of propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate (CID 10179322) is propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate is CCCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1.
What is the InChIKey of propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate?
The InChIKey is MYVZSNZLGIJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-19-30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)20-21-9-5-3-6-10-21/h3-12,15,18H,2,13-14,16-17,19-20H2,1H3.
What are the key properties of propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate?
propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate has a molecular weight of 403.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 10179322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).