N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide

C11H15BrN2O2 — CID 108872818

IUPACN-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Br)o2)CC1
InChIInChI=1S/C11H15BrN2O2/c1-8-4-6-14(7-5-8)11(15)13-10-3-2-9(12)16-10/h2-3,8H,4-7H2,1H3,(H,13,15)
InChIKeyDKGKENOTJNXFSE-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.31
Rot. Bonds1

About N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide

N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 108872818) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide
PubChem CID108872818
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Br)o2)CC1
InChIInChI=1S/C11H15BrN2O2/c1-8-4-6-14(7-5-8)11(15)13-10-3-2-9(12)16-10/h2-3,8H,4-7H2,1H3,(H,13,15)
InChIKeyDKGKENOTJNXFSE-UHFFFAOYSA-N
XLogP3.31
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide (CID 108872818) is N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(Br)o2)CC1.
What is the InChIKey of N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is DKGKENOTJNXFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8-4-6-14(7-5-8)11(15)13-10-3-2-9(12)16-10/h2-3,8H,4-7H2,1H3,(H,13,15).
What are the key properties of N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide?
N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108872818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).