N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide

C17H23ClN4O2 — CID 119152887

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide
SMILESC/N=C(\NCC(O)c1ccc(Cl)cc1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C17H23ClN4O2/c1-19-17(20-10-15(23)12-2-4-13(18)5-3-12)21-8-9-22(14-6-7-14)16(24)11-21/h2-5,14-15,23H,6-11H2,1H3,(H,19,20)
InChIKeyRFKWACGLFZMUJH-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.26
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide (PubChem CID 119152887) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide
PubChem CID119152887
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide
SMILESC/N=C(\NCC(O)c1ccc(Cl)cc1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C17H23ClN4O2/c1-19-17(20-10-15(23)12-2-4-13(18)5-3-12)21-8-9-22(14-6-7-14)16(24)11-21/h2-5,14-15,23H,6-11H2,1H3,(H,19,20)
InChIKeyRFKWACGLFZMUJH-UHFFFAOYSA-N
XLogP1.26
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide 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-cyclopropyl-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119152873
4-cyclopropyl-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-N'-methyl-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119152916
4-cyclopropyl-N'-methyl-N-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119162701
4-cyclopropyl-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119155428
4-cyclopropyl-N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119157230
4-cyclopropyl-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119160848
4-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119156477
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119158924
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119152610
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119158923
4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119156483

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide (CID 119152887) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide is C/N=C(\NCC(O)c1ccc(Cl)cc1)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is RFKWACGLFZMUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-19-17(20-10-15(23)12-2-4-13(18)5-3-12)21-8-9-22(14-6-7-14)16(24)11-21/h2-5,14-15,23H,6-11H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 350.85 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-cyclopropyl-N'-methyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 119152887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).