2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide

C19H29ClIN5O — CID 111090882

IUPAC2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)NC1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN5O.HI/c20-15-6-8-17(9-7-15)24-10-12-25(13-11-24)19(21)22-14-18(26)23-16-4-2-1-3-5-16;/h6-9,16H,1-5,10-14H2,(H2,21,22)(H,23,26);1H
InChIKeyZUFWCPGWIJSUFC-UHFFFAOYSA-N
MW505.83 g/mol
LogP2.84
Rot. Bonds4

About 2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide

2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide (PubChem CID 111090882) has the molecular formula C19H29ClIN5O and a molecular weight of 505.83 g/mol. Its IUPAC name is 2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
PubChem CID111090882
Molecular FormulaC19H29ClIN5O
Molecular Weight505.83 g/mol
Exact Mass505.11
IUPAC Name2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)NC1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN5O.HI/c20-15-6-8-17(9-7-15)24-10-12-25(13-11-24)19(21)22-14-18(26)23-16-4-2-1-3-5-16;/h6-9,16H,1-5,10-14H2,(H2,21,22)(H,23,26);1H
InChIKeyZUFWCPGWIJSUFC-UHFFFAOYSA-N
XLogP2.84
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.83
LogP ≤ 52.84
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclohexylguanidine
CID 111093138
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide
CID 119121156
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide
CID 111032106
3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide
CID 111075503
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037054
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111083944
N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111093183
N-cyclohexyl-2-[[ethylamino-[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]amino]acetamide
CID 111243119
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
1-cyclopentyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 119120815
4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110018760
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 111073778

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide (CID 111090882) is 2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide is I.N/C(=N\CC(=O)NC1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The InChIKey is ZUFWCPGWIJSUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5O.HI/c20-15-6-8-17(9-7-15)24-10-12-25(13-11-24)19(21)22-14-18(26)23-16-4-2-1-3-5-16;/h6-9,16H,1-5,10-14H2,(H2,21,22)(H,23,26);1H.
What are the key properties of 2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide has a molecular weight of 505.83 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide is sourced from PubChem (CID 111090882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).