tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate

C24H30N2O3 — CID 55987783

IUPACtert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)29-23(28)26-15-13-21(14-16-26)25-22(27)17-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,21H,13-17H2,1-3H3,(H,25,27)
InChIKeyFTWYAMMAFNLYBQ-UHFFFAOYSA-N
MW394.51 g/mol
LogP4.41
Rot. Bonds4

About tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 55987783) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate
PubChem CID55987783
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Nametert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)29-23(28)26-15-13-21(14-16-26)25-22(27)17-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,21H,13-17H2,1-3H3,(H,25,27)
InChIKeyFTWYAMMAFNLYBQ-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate (CID 55987783) is tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is FTWYAMMAFNLYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)29-23(28)26-15-13-21(14-16-26)25-22(27)17-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,21H,13-17H2,1-3H3,(H,25,27).
What are the key properties of tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 394.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(4-phenylphenyl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 55987783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).