tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate

C19H26N2O4 — CID 94812936

IUPACtert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)[C@@H]2Cc3ccccc3O2)CC1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-18(23)21-10-8-14(9-11-21)20-17(22)16-12-13-6-4-5-7-15(13)24-16/h4-7,14,16H,8-12H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyLBKOWOGQBGIAIO-INIZCTEOSA-N
MW346.43 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 94812936) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID94812936
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)[C@@H]2Cc3ccccc3O2)CC1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-18(23)21-10-8-14(9-11-21)20-17(22)16-12-13-6-4-5-7-15(13)24-16/h4-7,14,16H,8-12H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyLBKOWOGQBGIAIO-INIZCTEOSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42886348
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate
CID 55821307
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291
3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032698
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 138657322
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate
CID 9193212
ethyl 4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepine-4-carbonyl]amino]piperidine-1-carboxylate
CID 97276064

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate (CID 94812936) is tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)[C@@H]2Cc3ccccc3O2)CC1.
What is the InChIKey of tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is LBKOWOGQBGIAIO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)25-18(23)21-10-8-14(9-11-21)20-17(22)16-12-13-6-4-5-7-15(13)24-16/h4-7,14,16H,8-12H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 94812936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).