tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate

C19H23NO4 — CID 141001592

IUPACtert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2occ3ccccc23)CC1
InChIInChI=1S/C19H23NO4/c1-19(2,3)24-18(22)20-10-8-13(9-11-20)16(21)17-15-7-5-4-6-14(15)12-23-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBXNPBGKVWSJEAE-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.26
Rot. Bonds2

About tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate (PubChem CID 141001592) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate
PubChem CID141001592
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nametert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2occ3ccccc23)CC1
InChIInChI=1S/C19H23NO4/c1-19(2,3)24-18(22)20-10-8-13(9-11-20)16(21)17-15-7-5-4-6-14(15)12-23-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBXNPBGKVWSJEAE-UHFFFAOYSA-N
XLogP4.26
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693
tert-butyl 4-(3-bromobenzoyl)piperidine-1-carboxylate
CID 171314862
1-O-tert-butyl 4-O-[(1S)-1-phenylethyl] piperidine-1,4-dicarboxylate
CID 138393461
tert-butyl 4-[1-(2-phenylethenyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate
CID 76556644
tert-butyl 4-(5-chloro-2-methylbenzoyl)piperidine-1-carboxylate
CID 58539966
tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate
CID 23641351
tert-butyl 4-[[(3-chloroindazole-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 71112749
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 46612716
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684
tert-butyl 4-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-1-carboxylate
CID 58817540

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate (CID 141001592) is tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)c2occ3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is BXNPBGKVWSJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-19(2,3)24-18(22)20-10-8-13(9-11-20)16(21)17-15-7-5-4-6-14(15)12-23-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 141001592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).