[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate

C16H19N3O5 — CID 175133699

IUPAC[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate
SMILESCOc1ccc2oc(C(=O)NN3CCC(OC(N)=O)CC3)cc2c1
InChIInChI=1S/C16H19N3O5/c1-22-12-2-3-13-10(8-12)9-14(24-13)15(20)18-19-6-4-11(5-7-19)23-16(17)21/h2-3,8-9,11H,4-7H2,1H3,(H2,17,21)(H,18,20)
InChIKeyZOGWQFRLLSUBLL-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.65
Rot. Bonds4

About [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate

[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate (PubChem CID 175133699) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate
PubChem CID175133699
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate
SMILESCOc1ccc2oc(C(=O)NN3CCC(OC(N)=O)CC3)cc2c1
InChIInChI=1S/C16H19N3O5/c1-22-12-2-3-13-10(8-12)9-14(24-13)15(20)18-19-6-4-11(5-7-19)23-16(17)21/h2-3,8-9,11H,4-7H2,1H3,(H2,17,21)(H,18,20)
InChIKeyZOGWQFRLLSUBLL-UHFFFAOYSA-N
XLogP1.65
TPSA107.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate?
The IUPAC name of [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate (CID 175133699) is [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate.
What is the SMILES notation for [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate?
The canonical SMILES for [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate is COc1ccc2oc(C(=O)NN3CCC(OC(N)=O)CC3)cc2c1.
What is the InChIKey of [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate?
The InChIKey is ZOGWQFRLLSUBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-22-12-2-3-13-10(8-12)9-14(24-13)15(20)18-19-6-4-11(5-7-19)23-16(17)21/h2-3,8-9,11H,4-7H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate?
[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate has a molecular weight of 333.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate is sourced from PubChem (CID 175133699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).