N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide

C18H20N2O4 — CID 38022754

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C18H20N2O4/c1-23-16-4-2-3-13(11-16)17(21)19-15-5-8-20(9-6-15)18(22)14-7-10-24-12-14/h2-4,7,10-12,15H,5-6,8-9H2,1H3,(H,19,21)
InChIKeyFNAQKDRCNLWURQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.32
Rot. Bonds4

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide (PubChem CID 38022754) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
PubChem CID38022754
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C18H20N2O4/c1-23-16-4-2-3-13(11-16)17(21)19-15-5-8-20(9-6-15)18(22)14-7-10-24-12-14/h2-4,7,10-12,15H,5-6,8-9H2,1H3,(H,19,21)
InChIKeyFNAQKDRCNLWURQ-UHFFFAOYSA-N
XLogP2.32
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide (CID 38022754) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is FNAQKDRCNLWURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-16-4-2-3-13(11-16)17(21)19-15-5-8-20(9-6-15)18(22)14-7-10-24-12-14/h2-4,7,10-12,15H,5-6,8-9H2,1H3,(H,19,21).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 38022754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).