1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one

C22H22FN3O3 — CID 28925113

IUPAC1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CCN(Cc4ccccc4F)C(=O)C3)c(C)c2c1
InChIInChI=1S/C22H22FN3O3/c1-14-17-11-16(29-2)7-8-19(17)24-21(14)22(28)26-10-9-25(20(27)13-26)12-15-5-3-4-6-18(15)23/h3-8,11,24H,9-10,12-13H2,1-2H3
InChIKeyIBPXBTRHRMHVQD-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.11
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one

1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one (PubChem CID 28925113) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one
PubChem CID28925113
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CCN(Cc4ccccc4F)C(=O)C3)c(C)c2c1
InChIInChI=1S/C22H22FN3O3/c1-14-17-11-16(29-2)7-8-19(17)24-21(14)22(28)26-10-9-25(20(27)13-26)12-15-5-3-4-6-18(15)23/h3-8,11,24H,9-10,12-13H2,1-2H3
InChIKeyIBPXBTRHRMHVQD-UHFFFAOYSA-N
XLogP3.11
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-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

1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene
CID 145164316
N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide
CID 20877026
1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
CID 91783345
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 56740155
1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one
CID 70736935
(5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119062680
1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 68811952
[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 155912601
(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 74244391
1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one
CID 70758963
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4971080
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one (CID 28925113) is 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one is COc1ccc2[nH]c(C(=O)N3CCN(Cc4ccccc4F)C(=O)C3)c(C)c2c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one?
The InChIKey is IBPXBTRHRMHVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-14-17-11-16(29-2)7-8-19(17)24-21(14)22(28)26-10-9-25(20(27)13-26)12-15-5-3-4-6-18(15)23/h3-8,11,24H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one?
1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one has a molecular weight of 395.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 28925113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).