tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate

C19H24N2O4 — CID 66639098

IUPACtert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NC(=O)c2cccc3occc23)C1
InChIInChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)21-10-5-6-13(12-21)20-17(22)15-7-4-8-16-14(15)9-11-24-16/h4,7-9,11,13H,5-6,10,12H2,1-3H3,(H,20,22)
InChIKeyACWSKANVPHXQHZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.56
Rot. Bonds2

About tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate

tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate (PubChem CID 66639098) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate
PubChem CID66639098
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nametert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NC(=O)c2cccc3occc23)C1
InChIInChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)21-10-5-6-13(12-21)20-17(22)15-7-4-8-16-14(15)9-11-24-16/h4,7-9,11,13H,5-6,10,12H2,1-3H3,(H,20,22)
InChIKeyACWSKANVPHXQHZ-UHFFFAOYSA-N
XLogP3.56
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123551
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
tert-butyl 3-[(4,5-diamino-2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 166815279
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
tert-butyl (3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123662
tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
CID 71633316
tert-butyl (3S)-3-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
CID 96549415
tert-butyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)piperidine-1-carboxylate
CID 71630800
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl (3S)-3-[(2-ethylsulfanylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 91552011

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate (CID 66639098) is tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(NC(=O)c2cccc3occc23)C1.
What is the InChIKey of tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate?
The InChIKey is ACWSKANVPHXQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)21-10-5-6-13(12-21)20-17(22)15-7-4-8-16-14(15)9-11-24-16/h4,7-9,11,13H,5-6,10,12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate?
tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 66639098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).