furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone

C19H19N3O3 — CID 53117750

IUPACfuran-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-13-14-5-2-3-6-15(14)20-17(13)19(24)22-10-8-21(9-11-22)18(23)16-7-4-12-25-16/h2-7,12,20H,8-11H2,1H3
InChIKeyLUPORGPMLXZGEM-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.67
Rot. Bonds2

About furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 53117750) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID53117750
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namefuran-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-13-14-5-2-3-6-15(14)20-17(13)19(24)22-10-8-21(9-11-22)18(23)16-7-4-12-25-16/h2-7,12,20H,8-11H2,1H3
InChIKeyLUPORGPMLXZGEM-UHFFFAOYSA-N
XLogP2.67
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile
CID 10497907
[4-(3-ethyl-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 50950547
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 53013284
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 53013280
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 131940830
(4-chlorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013270
(3,4-difluorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013289
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701048
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone (CID 53117750) is furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)[nH]c2ccccc12.
What is the InChIKey of furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LUPORGPMLXZGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-14-5-2-3-6-15(14)20-17(13)19(24)22-10-8-21(9-11-22)18(23)16-7-4-12-25-16/h2-7,12,20H,8-11H2,1H3.
What are the key properties of furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53117750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).