1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide

C18H20N2O4 — CID 29439907

IUPAC1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2occc2COc2ccccc2)CC1
InChIInChI=1S/C18H20N2O4/c19-17(21)13-6-9-20(10-7-13)18(22)16-14(8-11-23-16)12-24-15-4-2-1-3-5-15/h1-5,8,11,13H,6-7,9-10,12H2,(H2,19,21)
InChIKeyNQSPXIAINGNGQL-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.20
Rot. Bonds5

About 1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide

1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide (PubChem CID 29439907) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
PubChem CID29439907
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2occc2COc2ccccc2)CC1
InChIInChI=1S/C18H20N2O4/c19-17(21)13-6-9-20(10-7-13)18(22)16-14(8-11-23-16)12-24-15-4-2-1-3-5-15/h1-5,8,11,13H,6-7,9-10,12H2,(H2,19,21)
InChIKeyNQSPXIAINGNGQL-UHFFFAOYSA-N
XLogP2.20
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119486321
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119663957
[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832889
1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55498214
[3-(1,1-difluoro-2-hydroxyethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 166315551
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 95590071
(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572
[3-(phenoxymethyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997487
[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 56779877
morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone
CID 43064177

Frequently Asked Questions

What is the IUPAC name of 1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide (CID 29439907) is 1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2occc2COc2ccccc2)CC1.
What is the InChIKey of 1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is NQSPXIAINGNGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c19-17(21)13-6-9-20(10-7-13)18(22)16-14(8-11-23-16)12-24-15-4-2-1-3-5-15/h1-5,8,11,13H,6-7,9-10,12H2,(H2,19,21).
What are the key properties of 1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide?
1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 29439907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).