tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate

C21H28N2O4 — CID 46612716

IUPACtert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cc2ccccc2o1
InChIInChI=1S/C21H28N2O4/c1-14(18-13-16-7-5-6-8-17(16)26-18)22-19(24)15-9-11-23(12-10-15)20(25)27-21(2,3)4/h5-8,13-15H,9-12H2,1-4H3,(H,22,24)
InChIKeyUUZXMUPXIFHFLA-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.26
Rot. Bonds3

About tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 46612716) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID46612716
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Nametert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cc2ccccc2o1
InChIInChI=1S/C21H28N2O4/c1-14(18-13-16-7-5-6-8-17(16)26-18)22-19(24)15-9-11-23(12-10-15)20(25)27-21(2,3)4/h5-8,13-15H,9-12H2,1-4H3,(H,22,24)
InChIKeyUUZXMUPXIFHFLA-UHFFFAOYSA-N
XLogP4.26
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836
methyl 2-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 39966547
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9367840
N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46642653
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901
N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778029

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate (CID 46612716) is tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate is CC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cc2ccccc2o1.
What is the InChIKey of tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is UUZXMUPXIFHFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-14(18-13-16-7-5-6-8-17(16)26-18)22-19(24)15-9-11-23(12-10-15)20(25)27-21(2,3)4/h5-8,13-15H,9-12H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 46612716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).