4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde

C15H17N3O2 — CID 110762463

IUPAC4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
SMILESCn1cc(C(=O)N2CCN(C=O)CC2)c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-16-10-13(12-4-2-3-5-14(12)16)15(20)18-8-6-17(11-19)7-9-18/h2-5,10-11H,6-9H2,1H3
InChIKeyFGVNHFNPFUGKET-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.09
Rot. Bonds2

About 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde

4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde (PubChem CID 110762463) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
PubChem CID110762463
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
SMILESCn1cc(C(=O)N2CCN(C=O)CC2)c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-16-10-13(12-4-2-3-5-14(12)16)15(20)18-8-6-17(11-19)7-9-18/h2-5,10-11H,6-9H2,1H3
InChIKeyFGVNHFNPFUGKET-UHFFFAOYSA-N
XLogP1.09
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde 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

azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27041838
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814695

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde (CID 110762463) is 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde is Cn1cc(C(=O)N2CCN(C=O)CC2)c2ccccc21.
What is the InChIKey of 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is FGVNHFNPFUGKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-10-13(12-4-2-3-5-14(12)16)15(20)18-8-6-17(11-19)7-9-18/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde?
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 271.32 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110762463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).