4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide

C24H41N5O — CID 111959483

IUPAC4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCCN1CCN(c2ccccc2)CC1)N1CCC(OCC)CC1
InChIInChI=1S/C24H41N5O/c1-3-25-24(29-16-12-23(13-17-29)30-4-2)26-14-8-9-15-27-18-20-28(21-19-27)22-10-6-5-7-11-22/h5-7,10-11,23H,3-4,8-9,12-21H2,1-2H3,(H,25,26)
InChIKeyRQZAKSDJBGQTRA-UHFFFAOYSA-N
MW415.63 g/mol
LogP3.06
Rot. Bonds9

About 4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide

4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide (PubChem CID 111959483) has the molecular formula C24H41N5O and a molecular weight of 415.63 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
PubChem CID111959483
Molecular FormulaC24H41N5O
Molecular Weight415.63 g/mol
Exact Mass415.33
IUPAC Name4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCCN1CCN(c2ccccc2)CC1)N1CCC(OCC)CC1
InChIInChI=1S/C24H41N5O/c1-3-25-24(29-16-12-23(13-17-29)30-4-2)26-14-8-9-15-27-18-20-28(21-19-27)22-10-6-5-7-11-22/h5-7,10-11,23H,3-4,8-9,12-21H2,1-2H3,(H,25,26)
InChIKeyRQZAKSDJBGQTRA-UHFFFAOYSA-N
XLogP3.06
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.63
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

ethyl 1-[N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155774
methyl 1-[N-ethyl-N'-[3-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254315
4-ethoxy-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 111958977
1-[4-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 110960994
N-ethyl-N'-[4-(4-methylpiperazin-1-yl)butyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426614
N-ethyl-3-morpholin-4-yl-N'-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolidine-1-carboximidamide
CID 111726429
N-ethyl-N'-(4-morpholin-4-ylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426217
4-ethoxy-N-ethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
CID 111960895
N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide
CID 111958483
4-ethoxy-N-ethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111960894
4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958122
ethyl 4-[[N-ethyl-N'-[3-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111329323

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide (CID 111959483) is 4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide is CCN/C(=N\CCCCN1CCN(c2ccccc2)CC1)N1CCC(OCC)CC1.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide?
The InChIKey is RQZAKSDJBGQTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O/c1-3-25-24(29-16-12-23(13-17-29)30-4-2)26-14-8-9-15-27-18-20-28(21-19-27)22-10-6-5-7-11-22/h5-7,10-11,23H,3-4,8-9,12-21H2,1-2H3,(H,25,26).
What are the key properties of 4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide?
4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide has a molecular weight of 415.63 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111959483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).