(3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C16H23N3O5S — CID 52900244

IUPAC(3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1
InChIInChI=1S/C16H23N3O5S/c1-25(22,23)19-6-4-13(5-7-19)17-16(21)12-9-15(20)18(10-12)11-14-3-2-8-24-14/h2-3,8,12-13H,4-7,9-11H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeySRCBGQHOXWKLIO-GFCCVEGCSA-N
MW369.44 g/mol
LogP0.17
Rot. Bonds5

About (3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 52900244) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is (3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID52900244
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name(3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1
InChIInChI=1S/C16H23N3O5S/c1-25(22,23)19-6-4-13(5-7-19)17-16(21)12-9-15(20)18(10-12)11-14-3-2-8-24-14/h2-3,8,12-13H,4-7,9-11H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeySRCBGQHOXWKLIO-GFCCVEGCSA-N
XLogP0.17
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 51203979
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 99730752
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55958505
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
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-oxopyrrolidine-3-carbonyl chloride
CID 50873925
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide
CID 95267149
N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51241967

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 52900244) is (3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1.
What is the InChIKey of (3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SRCBGQHOXWKLIO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-25(22,23)19-6-4-13(5-7-19)17-16(21)12-9-15(20)18(10-12)11-14-3-2-8-24-14/h2-3,8,12-13H,4-7,9-11H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of (3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52900244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).