2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide

C19H30ClN5O3 — CID 111363421

IUPAC2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide
SMILESC/N=C(\NCC(=O)NCCOC)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H30ClN5O3/c1-21-19(23-15-18(26)22-7-13-27-2)25-10-8-24(9-11-25)12-14-28-17-5-3-16(20)4-6-17/h3-6H,7-15H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyQEKDTGNIXFABRG-UHFFFAOYSA-N
MW411.93 g/mol
LogP0.67
Rot. Bonds9

About 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide

2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111363421) has the molecular formula C19H30ClN5O3 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide
PubChem CID111363421
Molecular FormulaC19H30ClN5O3
Molecular Weight411.93 g/mol
Exact Mass411.20
IUPAC Name2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide
SMILESC/N=C(\NCC(=O)NCCOC)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H30ClN5O3/c1-21-19(23-15-18(26)22-7-13-27-2)25-10-8-24(9-11-25)12-14-28-17-5-3-16(20)4-6-17/h3-6H,7-15H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyQEKDTGNIXFABRG-UHFFFAOYSA-N
XLogP0.67
TPSA78.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide 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

2-[[C-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111357423
2-[[C-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111303042
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8907064
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111168505
N-[2-(4-chlorophenoxy)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205742
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 109414683
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
3-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylbutan-1-one
CID 120502550
N-[1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 86977373

Frequently Asked Questions

What is the IUPAC name of 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide (CID 111363421) is 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide is C/N=C(\NCC(=O)NCCOC)N1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is QEKDTGNIXFABRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN5O3/c1-21-19(23-15-18(26)22-7-13-27-2)25-10-8-24(9-11-25)12-14-28-17-5-3-16(20)4-6-17/h3-6H,7-15H2,1-2H3,(H,21,23)(H,22,26).
What are the key properties of 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide?
2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 411.93 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111363421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).