ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate

C16H28N4O4 — CID 109017978

IUPACethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCN2CCN(C=O)CC2)CC1
InChIInChI=1S/C16H28N4O4/c1-2-24-16(23)20-7-3-14(4-8-20)17-15(22)5-6-18-9-11-19(13-21)12-10-18/h13-14H,2-12H2,1H3,(H,17,22)
InChIKeyQRTHAIOPYAWBME-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.11
Rot. Bonds6

About ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate (PubChem CID 109017978) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate
PubChem CID109017978
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Nameethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCN2CCN(C=O)CC2)CC1
InChIInChI=1S/C16H28N4O4/c1-2-24-16(23)20-7-3-14(4-8-20)17-15(22)5-6-18-9-11-19(13-21)12-10-18/h13-14H,2-12H2,1H3,(H,17,22)
InChIKeyQRTHAIOPYAWBME-UHFFFAOYSA-N
XLogP-0.11
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate 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

ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 51077572
ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 31692902
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108944536
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 167840317
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate
CID 31369313
ethyl 4-[3-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanoylamino]piperidine-1-carboxylate
CID 98236396
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[[N'-[4-(4-ethylpiperazin-1-yl)butyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111060379

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate (CID 109017978) is ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCN2CCN(C=O)CC2)CC1.
What is the InChIKey of ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is QRTHAIOPYAWBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-2-24-16(23)20-7-3-14(4-8-20)17-15(22)5-6-18-9-11-19(13-21)12-10-18/h13-14H,2-12H2,1H3,(H,17,22).
What are the key properties of ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 340.42 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 109017978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).