(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one

C22H25N3O4 — CID 9390081

IUPAC(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1
InChIInChI=1S/C22H25N3O4/c1-2-16-5-7-18(8-6-16)25-15-17(14-20(25)26)21(27)23-9-11-24(12-10-23)22(28)19-4-3-13-29-19/h3-8,13,17H,2,9-12,14-15H2,1H3/t17-/m1/s1
InChIKeyVZGQADXEHKGALJ-QGZVFWFLSA-N
MW395.46 g/mol
LogP2.18
Rot. Bonds4

About (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9390081) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID9390081
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1
InChIInChI=1S/C22H25N3O4/c1-2-16-5-7-18(8-6-16)25-15-17(14-20(25)26)21(27)23-9-11-24(12-10-23)22(28)19-4-3-13-29-19/h3-8,13,17H,2,9-12,14-15H2,1H3/t17-/m1/s1
InChIKeyVZGQADXEHKGALJ-QGZVFWFLSA-N
XLogP2.18
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-1-(4-chlorophenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 7337206
4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 113192002
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
1-(2,6-dimethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113186240
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one
CID 113185700
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872
1-(4-ethylphenyl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46563053
1-(5-chloro-2-methoxyphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 47005186
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119518509
1-tert-butyl-4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 17119108
1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119544467

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 9390081) is (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one is CCc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VZGQADXEHKGALJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-2-16-5-7-18(8-6-16)25-15-17(14-20(25)26)21(27)23-9-11-24(12-10-23)22(28)19-4-3-13-29-19/h3-8,13,17H,2,9-12,14-15H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 395.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9390081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).