4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C16H24BrN3O2 — CID 91910235

IUPAC4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(Cc3ccc(Br)o3)C2)CC1
InChIInChI=1S/C16H24BrN3O2/c1-18-16(21)20-8-5-12(6-9-20)13-4-7-19(10-13)11-14-2-3-15(17)22-14/h2-3,12-13H,4-11H2,1H3,(H,18,21)
InChIKeyCSAADYQLXSEHMP-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.92
Rot. Bonds3

About 4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91910235) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91910235
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(Cc3ccc(Br)o3)C2)CC1
InChIInChI=1S/C16H24BrN3O2/c1-18-16(21)20-8-5-12(6-9-20)13-4-7-19(10-13)11-14-2-3-15(17)22-14/h2-3,12-13H,4-11H2,1H3,(H,18,21)
InChIKeyCSAADYQLXSEHMP-UHFFFAOYSA-N
XLogP2.92
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91910235) is 4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(Cc3ccc(Br)o3)C2)CC1.
What is the InChIKey of 4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is CSAADYQLXSEHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-18-16(21)20-8-5-12(6-9-20)13-4-7-19(10-13)11-14-2-3-15(17)22-14/h2-3,12-13H,4-11H2,1H3,(H,18,21).
What are the key properties of 4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 370.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91910235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).