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

C25H29N3O2 — CID 10179323

IUPACpropan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-20(2)30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)19-21-9-5-3-6-10-21/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3
InChIKeyLFIFXAGOMGUFLO-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.86
Rot. Bonds5

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

propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate (PubChem CID 10179323) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate
PubChem CID10179323
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Namepropan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-20(2)30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)19-21-9-5-3-6-10-21/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3
InChIKeyLFIFXAGOMGUFLO-UHFFFAOYSA-N
XLogP4.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate (CID 10179323) is propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1.
What is the InChIKey of propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate?
The InChIKey is LFIFXAGOMGUFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-20(2)30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)19-21-9-5-3-6-10-21/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3.
What are the key properties of propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate?
propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate has a molecular weight of 403.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(1-benzylimidazol-2-yl)-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 10179323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).