1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C21H25N3O4 — CID 51148502

IUPAC1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C3CC(=O)N(Cc4ccco4)C3)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-18-6-4-17(5-7-18)22-8-10-23(11-9-22)21(26)16-13-20(25)24(14-16)15-19-3-2-12-28-19/h2-7,12,16H,8-11,13-15H2,1H3
InChIKeyOHEKNLVULKGDTA-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.99
Rot. Bonds5

About 1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 51148502) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID51148502
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C3CC(=O)N(Cc4ccco4)C3)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-18-6-4-17(5-7-18)22-8-10-23(11-9-22)21(26)16-13-20(25)24(14-16)15-19-3-2-12-28-19/h2-7,12,16H,8-11,13-15H2,1H3
InChIKeyOHEKNLVULKGDTA-UHFFFAOYSA-N
XLogP1.99
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 112763061
1-(furan-2-ylmethyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51263184
1-(furan-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 44777878
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
(4S)-4-[4-(2-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 97078833
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 113182712
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 55918774
4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43002728
1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110023696
6-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137350

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 51148502) is 1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2CCN(C(=O)C3CC(=O)N(Cc4ccco4)C3)CC2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is OHEKNLVULKGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-6-4-17(5-7-18)22-8-10-23(11-9-22)21(26)16-13-20(25)24(14-16)15-19-3-2-12-28-19/h2-7,12,16H,8-11,13-15H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 383.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 51148502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).