N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide

C25H39IN6O — CID 111982382

IUPACN-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCc1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCCC2)CC1.I
InChIInChI=1S/C25H38N6O.HI/c1-2-26-25(27-12-8-9-21-19-28-23-11-5-4-10-22(21)23)31-17-15-29(16-18-31)20-24(32)30-13-6-3-7-14-30;/h4-5,10-11,19,28H,2-3,6-9,12-18,20H2,1H3,(H,26,27);1H
InChIKeyBBUJSKVSHKENFF-UHFFFAOYSA-N
MW566.53 g/mol
LogP3.31
Rot. Bonds7

About N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide

N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111982382) has the molecular formula C25H39IN6O and a molecular weight of 566.53 g/mol. Its IUPAC name is N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111982382
Molecular FormulaC25H39IN6O
Molecular Weight566.53 g/mol
Exact Mass566.22
IUPAC NameN-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCc1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCCC2)CC1.I
InChIInChI=1S/C25H38N6O.HI/c1-2-26-25(27-12-8-9-21-19-28-23-11-5-4-10-22(21)23)31-17-15-29(16-18-31)20-24(32)30-13-6-3-7-14-30;/h4-5,10-11,19,28H,2-3,6-9,12-18,20H2,1H3,(H,26,27);1H
InChIKeyBBUJSKVSHKENFF-UHFFFAOYSA-N
XLogP3.31
TPSA66.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide 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

4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]piperazine-1-carboximidamide
CID 111419647
N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide;hydroiodide
CID 111990476
4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide
CID 111419615
N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111984466
2-[4-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide;hydroiodide
CID 111984330
4-ethoxy-N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111958119
tert-butyl N-[1-[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111984705
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide
CID 111419633
N-ethyl-N'-[(4-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111367068
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111419914
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide (CID 111982382) is N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCc1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCCC2)CC1.I.
What is the InChIKey of N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is BBUJSKVSHKENFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O.HI/c1-2-26-25(27-12-8-9-21-19-28-23-11-5-4-10-22(21)23)31-17-15-29(16-18-31)20-24(32)30-13-6-3-7-14-30;/h4-5,10-11,19,28H,2-3,6-9,12-18,20H2,1H3,(H,26,27);1H.
What are the key properties of N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 566.53 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(1H-indol-3-yl)propyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111982382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).