tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate

C25H32N2O3 — CID 52731291

IUPACtert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O3/c1-25(2,3)30-24(29)27-16-14-21(15-17-27)26-23(28)18-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,14-18H2,1-3H3,(H,26,28)
InChIKeyGCRBMCASZKHPII-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.72
Rot. Bonds5

About tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate

tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate (PubChem CID 52731291) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
PubChem CID52731291
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Nametert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O3/c1-25(2,3)30-24(29)27-16-14-21(15-17-27)26-23(28)18-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,14-18H2,1-3H3,(H,26,28)
InChIKeyGCRBMCASZKHPII-UHFFFAOYSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 113257732
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
tert-butyl 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 55986374
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 94812936

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate (CID 52731291) is tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate?
The InChIKey is GCRBMCASZKHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-25(2,3)30-24(29)27-16-14-21(15-17-27)26-23(28)18-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,14-18H2,1-3H3,(H,26,28).
What are the key properties of tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate?
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate has a molecular weight of 408.54 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 52731291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).