tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate

C19H24N2O4 — CID 166523451

IUPACtert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)c3occc23)CC1
InChIInChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)21-9-6-12(7-10-21)13-4-5-15(17(20)22)16-14(13)8-11-24-16/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H2,20,22)
InChIKeyIPFUDEWLFBUPLP-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.65
Rot. Bonds2

About tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate

tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate (PubChem CID 166523451) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate
PubChem CID166523451
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nametert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)c3occc23)CC1
InChIInChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)21-9-6-12(7-10-21)13-4-5-15(17(20)22)16-14(13)8-11-24-16/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H2,20,22)
InChIKeyIPFUDEWLFBUPLP-UHFFFAOYSA-N
XLogP3.65
TPSA85.77 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
CID 130377934
tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate
CID 58442831
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-[(4-amino-5-chloro-1-benzofuran-7-carbonyl)amino]piperidine-1-carboxylate
CID 69401716
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-(6-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate;5-piperidin-4-ylnaphthalene-2-carboxamide;hydrochloride
CID 162194135
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
tert-butyl 4-(4-carbamothioylphenyl)piperidine-1-carboxylate
CID 172570363
tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate
CID 171109282
tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate
CID 141039770
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate (CID 166523451) is tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)c3occc23)CC1.
What is the InChIKey of tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate?
The InChIKey is IPFUDEWLFBUPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)21-9-6-12(7-10-21)13-4-5-15(17(20)22)16-14(13)8-11-24-16/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H2,20,22).
What are the key properties of tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 166523451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).