tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate

C21H32N2O3 — CID 43017509

IUPACtert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
SMILESCCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C21H32N2O3/c1-5-9-18(16-10-7-6-8-11-16)22-19(24)17-12-14-23(15-13-17)20(25)26-21(2,3)4/h6-8,10-11,17-18H,5,9,12-15H2,1-4H3,(H,22,24)
InChIKeyFUCGDQABYKLDPC-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.29
Rot. Bonds5

About tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate (PubChem CID 43017509) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
PubChem CID43017509
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Nametert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
SMILESCCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C21H32N2O3/c1-5-9-18(16-10-7-6-8-11-16)22-19(24)17-12-14-23(15-13-17)20(25)26-21(2,3)4/h6-8,10-11,17-18H,5,9,12-15H2,1-4H3,(H,22,24)
InChIKeyFUCGDQABYKLDPC-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-(cyclohexanecarbonylamino)-2-phenylethyl]piperidine-1-carboxylate
CID 137373058
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
CID 9155664
tert-butyl 4-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 9150003
tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
CID 24613419
N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide
CID 31977352
4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
tert-butyl 4-[[phenyl(pyridin-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 44765018
tert-butyl 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 113257732
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
tert-butyl 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 48735739

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate (CID 43017509) is tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate is CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is FUCGDQABYKLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-5-9-18(16-10-7-6-8-11-16)22-19(24)17-12-14-23(15-13-17)20(25)26-21(2,3)4/h6-8,10-11,17-18H,5,9,12-15H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 360.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 43017509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).