N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide

C17H18N2O4 — CID 7687540

IUPACN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccco2)ccc1N1CCCCC1=O
InChIInChI=1S/C17H18N2O4/c1-22-15-11-12(18-17(21)14-5-4-10-23-14)7-8-13(15)19-9-3-2-6-16(19)20/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,18,21)
InChIKeyYHJOFNDGAUNDRQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.06
Rot. Bonds4

About N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide

N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 7687540) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
PubChem CID7687540
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccco2)ccc1N1CCCCC1=O
InChIInChI=1S/C17H18N2O4/c1-22-15-11-12(18-17(21)14-5-4-10-23-14)7-8-13(15)19-9-3-2-6-16(19)20/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,18,21)
InChIKeyYHJOFNDGAUNDRQ-UHFFFAOYSA-N
XLogP3.06
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686997
5-bromo-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686704
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687480
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
2-(furan-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 36558202
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide (CID 7687540) is N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccco2)ccc1N1CCCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is YHJOFNDGAUNDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-15-11-12(18-17(21)14-5-4-10-23-14)7-8-13(15)19-9-3-2-6-16(19)20/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,18,21).
What are the key properties of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide?
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 7687540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).