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

C18H19NO4 — CID 652876

IUPAC[1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H19NO4/c1-22-15-6-4-13(5-7-15)17(20)14-8-10-19(11-9-14)18(21)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3
InChIKeyNFYUQVQNSZEYOD-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.02
Rot. Bonds4

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

[1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 652876) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID652876
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H19NO4/c1-22-15-6-4-13(5-7-15)17(20)14-8-10-19(11-9-14)18(21)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3
InChIKeyNFYUQVQNSZEYOD-UHFFFAOYSA-N
XLogP3.02
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 652876) is [1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of [1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is NFYUQVQNSZEYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-22-15-6-4-13(5-7-15)17(20)14-8-10-19(11-9-14)18(21)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3.
What are the key properties of [1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 313.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 652876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).