tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate

C29H37FN2O4 — CID 58129383

IUPACtert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate
SMILESCC(C)c1ccc(CC(=O)C2(NC(=O)OC(C)(C)C)CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H37FN2O4/c1-20(2)23-10-6-21(7-11-23)18-25(33)29(31-27(35)36-28(3,4)5)14-16-32(17-15-29)26(34)19-22-8-12-24(30)13-9-22/h6-13,20H,14-19H2,1-5H3,(H,31,35)
InChIKeyRZMUAHQRNBFLRC-UHFFFAOYSA-N
MW496.62 g/mol
LogP5.19
Rot. Bonds7

About tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate (PubChem CID 58129383) has the molecular formula C29H37FN2O4 and a molecular weight of 496.62 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate
PubChem CID58129383
Molecular FormulaC29H37FN2O4
Molecular Weight496.62 g/mol
Exact Mass496.27
IUPAC Nametert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate
SMILESCC(C)c1ccc(CC(=O)C2(NC(=O)OC(C)(C)C)CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H37FN2O4/c1-20(2)23-10-6-21(7-11-23)18-25(33)29(31-27(35)36-28(3,4)5)14-16-32(17-15-29)26(34)19-22-8-12-24(30)13-9-22/h6-13,20H,14-19H2,1-5H3,(H,31,35)
InChIKeyRZMUAHQRNBFLRC-UHFFFAOYSA-N
XLogP5.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate 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 tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate (CID 58129383) is tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate is CC(C)c1ccc(CC(=O)C2(NC(=O)OC(C)(C)C)CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate?
The InChIKey is RZMUAHQRNBFLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN2O4/c1-20(2)23-10-6-21(7-11-23)18-25(33)29(31-27(35)36-28(3,4)5)14-16-32(17-15-29)26(34)19-22-8-12-24(30)13-9-22/h6-13,20H,14-19H2,1-5H3,(H,31,35).
What are the key properties of tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate has a molecular weight of 496.62 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 58129383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).