4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide

C19H29ClN4O — CID 110962793

IUPAC4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)c1cccc(Cl)c1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H29ClN4O/c1-5-21-18(24-11-9-23(10-12-24)15(2)25)22-14-19(3,4)16-7-6-8-17(20)13-16/h6-8,13H,5,9-12,14H2,1-4H3,(H,21,22)
InChIKeyIECSZOAJMSEOMQ-UHFFFAOYSA-N
MW364.92 g/mol
LogP2.75
Rot. Bonds4

About 4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide

4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide (PubChem CID 110962793) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
PubChem CID110962793
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)c1cccc(Cl)c1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H29ClN4O/c1-5-21-18(24-11-9-23(10-12-24)15(2)25)22-14-19(3,4)16-7-6-8-17(20)13-16/h6-8,13H,5,9-12,14H2,1-4H3,(H,21,22)
InChIKeyIECSZOAJMSEOMQ-UHFFFAOYSA-N
XLogP2.75
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-acetyl-N'-[2-(3,4-dichlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
CID 110963119
4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide
CID 110963025
4-acetyl-N'-[2-(3-chlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide
CID 111493498
N-tert-butyl-2-[[[4-(3-chlorophenyl)piperazin-1-yl]-(ethylamino)methylidene]amino]acetamide
CID 111186611
4-acetyl-N-ethyl-N'-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine-1-carboximidamide;hydroiodide
CID 111547072
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-(3-chlorophenyl)-N-ethyl-N'-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 111186488
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111088020
4-acetyl-N'-[(3-cyanophenyl)methyl]-N-ethylpiperazine-1-carboximidamide
CID 110962407
4-acetyl-N'-[2-(4-chlorophenyl)sulfanylethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963603

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide (CID 110962793) is 4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide is CCN/C(=N\CC(C)(C)c1cccc(Cl)c1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide?
The InChIKey is IECSZOAJMSEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c1-5-21-18(24-11-9-23(10-12-24)15(2)25)22-14-19(3,4)16-7-6-8-17(20)13-16/h6-8,13H,5,9-12,14H2,1-4H3,(H,21,22).
What are the key properties of 4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide?
4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide has a molecular weight of 364.92 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 110962793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).