tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate

C23H28N2O4 — CID 55985531

IUPACtert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)25-15-13-18(14-16-25)24-21(26)17-9-11-20(12-10-17)28-19-7-5-4-6-8-19/h4-12,18H,13-16H2,1-3H3,(H,24,26)
InChIKeyQFSTXMBHDFIEAJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.61
Rot. Bonds4

About tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 55985531) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID55985531
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Nametert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)25-15-13-18(14-16-25)24-21(26)17-9-11-20(12-10-17)28-19-7-5-4-6-8-19/h4-12,18H,13-16H2,1-3H3,(H,24,26)
InChIKeyQFSTXMBHDFIEAJ-UHFFFAOYSA-N
XLogP4.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
tert-butyl 4-[[4-(methylsulfonylmethyl)benzoyl]amino]piperidine-1-carboxylate
CID 55985019
imino-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]phenyl]iminoazanium
CID 137439141
tert-butyl 4-[(4-fluorobenzoyl)amino]piperidine-1-carboxylate;4-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 158658010
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 24575440
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
tert-butyl 4-[[4-[(2S)-2-aminooxy-3-benzhydryloxy-3-oxopropoxy]benzoyl]amino]piperidine-1-carboxylate
CID 175761234
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate
CID 59850228

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate (CID 55985531) is tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is QFSTXMBHDFIEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)25-15-13-18(14-16-25)24-21(26)17-9-11-20(12-10-17)28-19-7-5-4-6-8-19/h4-12,18H,13-16H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 55985531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).