1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one

C18H20BrNO2 — CID 19760880

IUPAC1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H20BrNO2/c19-15-6-4-14(5-7-15)17-8-9-18(22-17)16(21)10-13-20-11-2-1-3-12-20/h4-9H,1-3,10-13H2
InChIKeyMHQXGHSCBANUKU-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.77
Rot. Bonds5

About 1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one

1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one (PubChem CID 19760880) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one
PubChem CID19760880
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H20BrNO2/c19-15-6-4-14(5-7-15)17-8-9-18(22-17)16(21)10-13-20-11-2-1-3-12-20/h4-9H,1-3,10-13H2
InChIKeyMHQXGHSCBANUKU-UHFFFAOYSA-N
XLogP4.77
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one (CID 19760880) is 1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one?
The InChIKey is MHQXGHSCBANUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c19-15-6-4-14(5-7-15)17-8-9-18(22-17)16(21)10-13-20-11-2-1-3-12-20/h4-9H,1-3,10-13H2.
What are the key properties of 1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one?
1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one has a molecular weight of 362.27 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 19760880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).