1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C23H29N3O3 — CID 51237853

IUPAC1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C23H29N3O3/c27-22-13-20(16-26(22)17-21-9-6-12-29-21)23(28)24-14-18-7-2-3-8-19(18)15-25-10-4-1-5-11-25/h2-3,6-9,12,20H,1,4-5,10-11,13-17H2,(H,24,28)
InChIKeyDQCUOZQTZOWUOC-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.93
Rot. Bonds7

About 1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 51237853) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID51237853
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C23H29N3O3/c27-22-13-20(16-26(22)17-21-9-6-12-29-21)23(28)24-14-18-7-2-3-8-19(18)15-25-10-4-1-5-11-25/h2-3,6-9,12,20H,1,4-5,10-11,13-17H2,(H,24,28)
InChIKeyDQCUOZQTZOWUOC-UHFFFAOYSA-N
XLogP2.93
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55336569
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 37053630
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43003170
1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 111335248
(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94021658
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51198575
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]-2-(2-methylphenyl)acetamide
CID 43877465
(3S)-1-(furan-2-ylmethyl)-N-[(2R)-2-hydroxy-2-methylbutyl]-5-oxopyrrolidine-3-carboxamide
CID 95783239

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 51237853) is 1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccccc1CN1CCCCC1)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is DQCUOZQTZOWUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-22-13-20(16-26(22)17-21-9-6-12-29-21)23(28)24-14-18-7-2-3-8-19(18)15-25-10-4-1-5-11-25/h2-3,6-9,12,20H,1,4-5,10-11,13-17H2,(H,24,28).
What are the key properties of 1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.93, 7 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-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51237853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).