2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone

C23H28N4O3 — CID 90843092

IUPAC2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone
SMILESO=C(Cc1ccc(O)cc1)C1CCN(CC(=O)N2CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C23H28N4O3/c28-21-3-1-18(2-4-21)15-22(29)19-7-10-25(16-19)17-23(30)27-13-11-26(12-14-27)20-5-8-24-9-6-20/h1-6,8-9,19,28H,7,10-17H2
InChIKeyRKQBJFSRTUBCAF-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.57
Rot. Bonds6

About 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone

2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone (PubChem CID 90843092) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone
PubChem CID90843092
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone
SMILESO=C(Cc1ccc(O)cc1)C1CCN(CC(=O)N2CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C23H28N4O3/c28-21-3-1-18(2-4-21)15-22(29)19-7-10-25(16-19)17-23(30)27-13-11-26(12-14-27)20-5-8-24-9-6-20/h1-6,8-9,19,28H,7,10-17H2
InChIKeyRKQBJFSRTUBCAF-UHFFFAOYSA-N
XLogP1.57
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone with MolForge

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Related Compounds

2-(3-bromo-2H-indazol-5-yl)-1-[(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]ethanone
CID 159959347
(3S)-N-(4-hydroxyphenyl)-1-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 58985307
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
2-methyl-4-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]butanoic acid;dihydrochloride
CID 174366852
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]acetic acid
CID 18918340
1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one
CID 9255742
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 58985273
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyridin-4-ylethanone
CID 91781163

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone (CID 90843092) is 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone is O=C(Cc1ccc(O)cc1)C1CCN(CC(=O)N2CCN(c3ccncc3)CC2)C1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone?
The InChIKey is RKQBJFSRTUBCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-21-3-1-18(2-4-21)15-22(29)19-7-10-25(16-19)17-23(30)27-13-11-26(12-14-27)20-5-8-24-9-6-20/h1-6,8-9,19,28H,7,10-17H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone?
2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone has a molecular weight of 408.50 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-[1-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 90843092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).