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

C26H27N3O4 — CID 166629549

IUPAC4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
SMILESCOc1cccc(-c2ccc(N3CC(N4CCN(C(=O)c5ccco5)CC4)CC3=O)cc2)c1
InChIInChI=1S/C26H27N3O4/c1-32-23-5-2-4-20(16-23)19-7-9-21(10-8-19)29-18-22(17-25(29)30)27-11-13-28(14-12-27)26(31)24-6-3-15-33-24/h2-10,15-16,22H,11-14,17-18H2,1H3
InChIKeyGYXJKRDYCPURGO-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.52
Rot. Bonds5

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

4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one (PubChem CID 166629549) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
PubChem CID166629549
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
SMILESCOc1cccc(-c2ccc(N3CC(N4CCN(C(=O)c5ccco5)CC4)CC3=O)cc2)c1
InChIInChI=1S/C26H27N3O4/c1-32-23-5-2-4-20(16-23)19-7-9-21(10-8-19)29-18-22(17-25(29)30)27-11-13-28(14-12-27)26(31)24-6-3-15-33-24/h2-10,15-16,22H,11-14,17-18H2,1H3
InChIKeyGYXJKRDYCPURGO-UHFFFAOYSA-N
XLogP3.52
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-hydroxyphenyl)phenyl]pyrrolidin-2-one
CID 167496073
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 40503680
(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9390081
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 26918816
(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
4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 113192002
(3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 26334017
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide
CID 3161473
1-(5-chloro-2-methoxyphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 47005186
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-methoxyphenyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one (CID 166629549) is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one is COc1cccc(-c2ccc(N3CC(N4CCN(C(=O)c5ccco5)CC4)CC3=O)cc2)c1.
What is the InChIKey of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one?
The InChIKey is GYXJKRDYCPURGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-23-5-2-4-20(16-23)19-7-9-21(10-8-19)29-18-22(17-25(29)30)27-11-13-28(14-12-27)26(31)24-6-3-15-33-24/h2-10,15-16,22H,11-14,17-18H2,1H3.
What are the key properties of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one?
4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one has a molecular weight of 445.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 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-methoxyphenyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166629549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).