(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

C20H21N3O4 — CID 25452099

IUPAC(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(c1ccco1)N1CCN(C(=O)[C@H]2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C20H21N3O4/c24-18(16-8-9-23(19(16)25)15-5-2-1-3-6-15)21-10-12-22(13-11-21)20(26)17-7-4-14-27-17/h1-7,14,16H,8-13H2/t16-/m1/s1
InChIKeyOFJZPFDPMBMMOK-MRXNPFEDSA-N
MW367.40 g/mol
LogP1.62
Rot. Bonds3

About (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 25452099) has the molecular formula C20H21N3O4 and a molecular weight of 367.40 g/mol. Its IUPAC name is (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID25452099
Molecular FormulaC20H21N3O4
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(c1ccco1)N1CCN(C(=O)[C@H]2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C20H21N3O4/c24-18(16-8-9-23(19(16)25)15-5-2-1-3-6-15)21-10-12-22(13-11-21)20(26)17-7-4-14-27-17/h1-7,14,16H,8-13H2/t16-/m1/s1
InChIKeyOFJZPFDPMBMMOK-MRXNPFEDSA-N
XLogP1.62
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 86942785
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
2-(furan-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131641801
4-(furan-2-carbonyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209011
4-(furan-2-carbonyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209010
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
(4S)-1-(4-chlorophenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 7337206
5-ethyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187721
(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9390081
(3S)-1-phenyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 97285430
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 91823187

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 25452099) is (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is OFJZPFDPMBMMOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-18(16-8-9-23(19(16)25)15-5-2-1-3-6-15)21-10-12-22(13-11-21)20(26)17-7-4-14-27-17/h1-7,14,16H,8-13H2/t16-/m1/s1.
What are the key properties of (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 367.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 25452099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).