3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one

C24H28N4O4 — CID 86942785

IUPAC3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CCCN1C(=O)c1ccco1)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C24H28N4O4/c29-22(20-8-4-11-28(20)24(31)21-9-5-17-32-21)26-15-13-25(14-16-26)19-10-12-27(23(19)30)18-6-2-1-3-7-18/h1-3,5-7,9,17,19-20H,4,8,10-16H2
InChIKeyQUZOYDPWVPYNFW-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.83
Rot. Bonds4

About 3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one

3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 86942785) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID86942785
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CCCN1C(=O)c1ccco1)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C24H28N4O4/c29-22(20-8-4-11-28(20)24(31)21-9-5-17-32-21)26-15-13-25(14-16-26)19-10-12-27(23(19)30)18-6-2-1-3-7-18/h1-3,5-7,9,17,19-20H,4,8,10-16H2
InChIKeyQUZOYDPWVPYNFW-UHFFFAOYSA-N
XLogP1.83
TPSA77.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 25452099
(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51263192
1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55981303
1-[4-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 86876183
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 100850284
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 71929615
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 94067915
N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55965715
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 55460818
3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119323770

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one (CID 86942785) is 3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one is O=C(C1CCCN1C(=O)c1ccco1)N1CCN(C2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is QUZOYDPWVPYNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-22(20-8-4-11-28(20)24(31)21-9-5-17-32-21)26-15-13-25(14-16-26)19-10-12-27(23(19)30)18-6-2-1-3-7-18/h1-3,5-7,9,17,19-20H,4,8,10-16H2.
What are the key properties of 3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 436.51 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 86942785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).