(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide

C19H29N3O3 — CID 95738978

IUPAC(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCC1(C)CC(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)CC(C)(C)N1
InChIInChI=1S/C19H29N3O3/c1-18(2)10-13(11-19(3,4)21-18)20-17(24)15-7-8-16(23)22(15)12-14-6-5-9-25-14/h5-6,9,13,15,21H,7-8,10-12H2,1-4H3,(H,20,24)/t15-/m0/s1
InChIKeyQRHHATAKNWRFGH-HNNXBMFYSA-N
MW347.46 g/mol
LogP2.20
Rot. Bonds4

About (2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide

(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 95738978) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID95738978
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCC1(C)CC(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)CC(C)(C)N1
InChIInChI=1S/C19H29N3O3/c1-18(2)10-13(11-19(3,4)21-18)20-17(24)15-7-8-16(23)22(15)12-14-6-5-9-25-14/h5-6,9,13,15,21H,7-8,10-12H2,1-4H3,(H,20,24)/t15-/m0/s1
InChIKeyQRHHATAKNWRFGH-HNNXBMFYSA-N
XLogP2.20
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938
N-[2-(dimethylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 71688511
(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739460
(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 7101882
(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738945
(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 95738994
1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 71688509
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
N-(furan-2-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108517632
(5R)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 124853639
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide (CID 95738978) is (2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide is CC1(C)CC(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)CC(C)(C)N1.
What is the InChIKey of (2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is QRHHATAKNWRFGH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-18(2)10-13(11-19(3,4)21-18)20-17(24)15-7-8-16(23)22(15)12-14-6-5-9-25-14/h5-6,9,13,15,21H,7-8,10-12H2,1-4H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide?
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95738978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).