1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

C18H27N3O3 — CID 51203979

IUPAC1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2CC(=O)N(Cc3ccco3)C2)CC1
InChIInChI=1S/C18H27N3O3/c1-13(2)20-7-5-15(6-8-20)19-18(23)14-10-17(22)21(11-14)12-16-4-3-9-24-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3,(H,19,23)
InChIKeyXSLVGVXMZQKSIA-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.62
Rot. Bonds5

About 1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 51203979) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID51203979
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2CC(=O)N(Cc3ccco3)C2)CC1
InChIInChI=1S/C18H27N3O3/c1-13(2)20-7-5-15(6-8-20)19-18(23)14-10-17(22)21(11-14)12-16-4-3-9-24-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3,(H,19,23)
InChIKeyXSLVGVXMZQKSIA-UHFFFAOYSA-N
XLogP1.62
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
(3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52900244
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55958505
(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 99730752
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 94116635
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]acetamide
CID 17232816
1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide
CID 54789420
1-(furan-2-ylmethyl)-5-oxo-N'-(2-phenoxypropanoyl)pyrrolidine-3-carbohydrazide
CID 17232666
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (CID 51203979) is 1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is CC(C)N1CCC(NC(=O)C2CC(=O)N(Cc3ccco3)C2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is XSLVGVXMZQKSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)20-7-5-15(6-8-20)19-18(23)14-10-17(22)21(11-14)12-16-4-3-9-24-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3,(H,19,23).
What are the key properties of 1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51203979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).