ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate

C25H29N3O2 — CID 11246669

IUPACethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccccc2)(c2nccn2C(C)c2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-3-30-24(29)27-17-14-25(15-18-27,22-12-8-5-9-13-22)23-26-16-19-28(23)20(2)21-10-6-4-7-11-21/h4-13,16,19-20H,3,14-15,17-18H2,1-2H3
InChIKeyAZPCCLQAOVOOKT-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.03
Rot. Bonds5

About ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate

ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 11246669) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate
PubChem CID11246669
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Nameethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccccc2)(c2nccn2C(C)c2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-3-30-24(29)27-17-14-25(15-18-27,22-12-8-5-9-13-22)23-26-16-19-28(23)20(2)21-10-6-4-7-11-21/h4-13,16,19-20H,3,14-15,17-18H2,1-2H3
InChIKeyAZPCCLQAOVOOKT-UHFFFAOYSA-N
XLogP5.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate (CID 11246669) is ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2ccccc2)(c2nccn2C(C)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is AZPCCLQAOVOOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-3-30-24(29)27-17-14-25(15-18-27,22-12-8-5-9-13-22)23-26-16-19-28(23)20(2)21-10-6-4-7-11-21/h4-13,16,19-20H,3,14-15,17-18H2,1-2H3.
What are the key properties of ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate?
ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 403.53 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 11246669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).