(3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

C14H19BrN2O2 — CID 116559716

IUPAC(3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(c1occc1Br)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H19BrN2O2/c15-11-5-9-19-14(11)13(18)12-2-1-8-17(12)10-3-6-16-7-4-10/h5,9-10,12,16H,1-4,6-8H2
InChIKeyWYFIJYWXSUADPP-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.44
Rot. Bonds3

About (3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

(3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 116559716) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID116559716
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(c1occc1Br)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H19BrN2O2/c15-11-5-9-19-14(11)13(18)12-2-1-8-17(12)10-3-6-16-7-4-10/h5,9-10,12,16H,1-4,6-8H2
InChIKeyWYFIJYWXSUADPP-UHFFFAOYSA-N
XLogP2.44
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (CID 116559716) is (3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is O=C(c1occc1Br)C1CCCN1C1CCNCC1.
What is the InChIKey of (3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is WYFIJYWXSUADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-11-5-9-19-14(11)13(18)12-2-1-8-17(12)10-3-6-16-7-4-10/h5,9-10,12,16H,1-4,6-8H2.
What are the key properties of (3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
(3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 327.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116559716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).