2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

C22H23ClN2O4 — CID 75793344

IUPAC2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCCCC2)C1c1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C22H23ClN2O4/c23-16-7-4-6-15(14-16)19-18(20(26)17-8-5-13-29-17)21(27)22(28)25(19)12-11-24-9-2-1-3-10-24/h4-8,13-14,19,27H,1-3,9-12H2
InChIKeySXRHAHXATVMFTC-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.00
Rot. Bonds6

About 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one (PubChem CID 75793344) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
PubChem CID75793344
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCCCC2)C1c1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C22H23ClN2O4/c23-16-7-4-6-15(14-16)19-18(20(26)17-8-5-13-29-17)21(27)22(28)25(19)12-11-24-9-2-1-3-10-24/h4-8,13-14,19,27H,1-3,9-12H2
InChIKeySXRHAHXATVMFTC-UHFFFAOYSA-N
XLogP4.00
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793372
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793342
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride
CID 163330118
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 28532431
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 1155121
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2907901
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 3146487
2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 6225558
(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1155672
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3402408
2-(4-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793499
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 2917899

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one (CID 75793344) is 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCN2CCCCC2)C1c1cccc(Cl)c1)c1ccco1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
The InChIKey is SXRHAHXATVMFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c23-16-7-4-6-15(14-16)19-18(20(26)17-8-5-13-29-17)21(27)22(28)25(19)12-11-24-9-2-1-3-10-24/h4-8,13-14,19,27H,1-3,9-12H2.
What are the key properties of 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one has a molecular weight of 414.89 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).