[1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone

C17H17NO3 — CID 2740736

IUPAC[1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H17NO3/c19-16(13-5-2-1-3-6-13)14-8-10-18(11-9-14)17(20)15-7-4-12-21-15/h1-7,12,14H,8-11H2
InChIKeyFQEQTZCYHMEMFF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.01
Rot. Bonds3

About [1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone

[1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone (PubChem CID 2740736) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone
PubChem CID2740736
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H17NO3/c19-16(13-5-2-1-3-6-13)14-8-10-18(11-9-14)17(20)15-7-4-12-21-15/h1-7,12,14H,8-11H2
InChIKeyFQEQTZCYHMEMFF-UHFFFAOYSA-N
XLogP3.01
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone (CID 2740736) is [1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is FQEQTZCYHMEMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(13-5-2-1-3-6-13)14-8-10-18(11-9-14)17(20)15-7-4-12-21-15/h1-7,12,14H,8-11H2.
What are the key properties of [1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone?
[1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 283.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-carbonyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 2740736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).