4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one

C25H25N3O4 — CID 167496073

IUPAC4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(-c4cccc(O)c4)cc3)C2)CC1
InChIInChI=1S/C25H25N3O4/c29-22-4-1-3-19(15-22)18-6-8-20(9-7-18)28-17-21(16-24(28)30)26-10-12-27(13-11-26)25(31)23-5-2-14-32-23/h1-9,14-15,21,29H,10-13,16-17H2
InChIKeyANRHRTCWMGCPKE-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.22
Rot. Bonds4

About 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one

4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one (PubChem CID 167496073) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one
PubChem CID167496073
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(-c4cccc(O)c4)cc3)C2)CC1
InChIInChI=1S/C25H25N3O4/c29-22-4-1-3-19(15-22)18-6-8-20(9-7-18)28-17-21(16-24(28)30)26-10-12-27(13-11-26)25(31)23-5-2-14-32-23/h1-9,14-15,21,29H,10-13,16-17H2
InChIKeyANRHRTCWMGCPKE-UHFFFAOYSA-N
XLogP3.22
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
CID 166629549
(4S)-1-(4-chlorophenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 7337206
4-(furan-2-carbonyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209116
(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9390081
4-(furan-2-carbonyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209010
4-(furan-2-carbonyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209011
4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 113192002
1-[4-(3,4-difluorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659528
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
CID 122654184
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 26918816
1-(2,6-dimethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113186240

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one (CID 167496073) is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one is O=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(-c4cccc(O)c4)cc3)C2)CC1.
What is the InChIKey of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one?
The InChIKey is ANRHRTCWMGCPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-22-4-1-3-19(15-22)18-6-8-20(9-7-18)28-17-21(16-24(28)30)26-10-12-27(13-11-26)25(31)23-5-2-14-32-23/h1-9,14-15,21,29H,10-13,16-17H2.
What are the key properties of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one?
4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one has a molecular weight of 431.49 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 167496073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).