4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide

C18H36IN5O — CID 110963596

IUPAC4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCN1CCCCC1C)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C18H35N5O.HI/c1-4-19-18(23-14-12-22(13-15-23)17(3)24)20-9-7-11-21-10-6-5-8-16(21)2;/h16H,4-15H2,1-3H3,(H,19,20);1H
InChIKeyFAOIXKHXNWXYET-UHFFFAOYSA-N
MW465.42 g/mol
LogP2.00
Rot. Bonds5

About 4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide

4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 110963596) has the molecular formula C18H36IN5O and a molecular weight of 465.42 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID110963596
Molecular FormulaC18H36IN5O
Molecular Weight465.42 g/mol
Exact Mass465.20
IUPAC Name4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCN1CCCCC1C)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C18H35N5O.HI/c1-4-19-18(23-14-12-22(13-15-23)17(3)24)20-9-7-11-21-10-6-5-8-16(21)2;/h16H,4-15H2,1-3H3,(H,19,20);1H
InChIKeyFAOIXKHXNWXYET-UHFFFAOYSA-N
XLogP2.00
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
CID 110963597
4-acetyl-N-ethyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110962566
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111145411
ethyl 4-[N-ethyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163237
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111145412
N-ethyl-N'-[4-(2-methylpiperidin-1-yl)butyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379165
N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111735216
tert-butyl N-[1-[N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111728997
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
CID 110963136
4-acetyl-N-ethyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperazine-1-carboximidamide
CID 110962687
1-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 136925929
4-acetyl-N-ethyl-N'-nonylpiperazine-1-carboximidamide;hydroiodide
CID 110963690

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide (CID 110963596) is 4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCN1CCCCC1C)N1CCN(C(C)=O)CC1.I.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is FAOIXKHXNWXYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O.HI/c1-4-19-18(23-14-12-22(13-15-23)17(3)24)20-9-7-11-21-10-6-5-8-16(21)2;/h16H,4-15H2,1-3H3,(H,19,20);1H.
What are the key properties of 4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 465.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110963596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).