4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide

C20H32N4O2 — CID 110963025

IUPAC4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)c1ccc(OC)cc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C20H32N4O2/c1-6-21-19(24-13-11-23(12-14-24)16(2)25)22-15-20(3,4)17-7-9-18(26-5)10-8-17/h7-10H,6,11-15H2,1-5H3,(H,21,22)
InChIKeyHZGBUHZZJQNTCH-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.10
Rot. Bonds5

About 4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide

4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide (PubChem CID 110963025) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide
PubChem CID110963025
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)c1ccc(OC)cc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C20H32N4O2/c1-6-21-19(24-13-11-23(12-14-24)16(2)25)22-15-20(3,4)17-7-9-18(26-5)10-8-17/h7-10H,6,11-15H2,1-5H3,(H,21,22)
InChIKeyHZGBUHZZJQNTCH-UHFFFAOYSA-N
XLogP2.10
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-ethyl-3-hydroxy-N'-[2-(4-methoxyphenyl)-2-methylpropyl]pyrrolidine-1-carboximidamide
CID 111551236
4-acetyl-N'-[2-(3,4-dichlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
CID 110963119
(3R)-N-ethyl-3-hydroxy-N'-[2-(4-methoxyphenyl)-2-methylpropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111551235
4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
CID 110962793
4-acetyl-N-ethyl-N'-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboximidamide
CID 110963353
4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
CID 110963403
4-acetyl-N'-[2-(4-chlorophenoxy)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962823
4-acetyl-N'-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 111493650
1-ethyl-2-[2-(4-methoxyphenyl)-2-methylpropyl]-3-prop-2-ynylguanidine
CID 111850268
N-ethyl-N'-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956009
4-acetyl-N-ethyl-N'-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 110963439
4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958732

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide (CID 110963025) is 4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide is CCN/C(=N\CC(C)(C)c1ccc(OC)cc1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide?
The InChIKey is HZGBUHZZJQNTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-6-21-19(24-13-11-23(12-14-24)16(2)25)22-15-20(3,4)17-7-9-18(26-5)10-8-17/h7-10H,6,11-15H2,1-5H3,(H,21,22).
What are the key properties of 4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide has a molecular weight of 360.50 g/mol, XLogP of 2.10, 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'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110963025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).