2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide

C18H27ClIN5O — CID 119121156

IUPAC2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide
SMILESI.N/C(=N\CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NC1CCCC1
InChIInChI=1S/C18H26ClN5O.HI/c19-14-5-7-16(8-6-14)23-9-11-24(12-10-23)17(25)13-21-18(20)22-15-3-1-2-4-15;/h5-8,15H,1-4,9-13H2,(H3,20,21,22);1H
InChIKeyBHGMNLCJNCDRJJ-UHFFFAOYSA-N
MW491.81 g/mol
LogP2.45
Rot. Bonds4

About 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide

2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide (PubChem CID 119121156) has the molecular formula C18H27ClIN5O and a molecular weight of 491.81 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide
PubChem CID119121156
Molecular FormulaC18H27ClIN5O
Molecular Weight491.81 g/mol
Exact Mass491.09
IUPAC Name2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide
SMILESI.N/C(=N\CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NC1CCCC1
InChIInChI=1S/C18H26ClN5O.HI/c19-14-5-7-16(8-6-14)23-9-11-24(12-10-23)17(25)13-21-18(20)22-15-3-1-2-4-15;/h5-8,15H,1-4,9-13H2,(H3,20,21,22);1H
InChIKeyBHGMNLCJNCDRJJ-UHFFFAOYSA-N
XLogP2.45
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.81
LogP ≤ 52.45
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
1-cyclopentyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 119120815
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090882
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]guanidine
CID 110917770
1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111040239
1-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058289
N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111093183
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
4-(4-fluorophenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111040310
(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
CID 119871472
3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide
CID 111075503
1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine
CID 111098035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide?
The IUPAC name of 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide (CID 119121156) is 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide is I.N/C(=N\CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NC1CCCC1.
What is the InChIKey of 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide?
The InChIKey is BHGMNLCJNCDRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O.HI/c19-14-5-7-16(8-6-14)23-9-11-24(12-10-23)17(25)13-21-18(20)22-15-3-1-2-4-15;/h5-8,15H,1-4,9-13H2,(H3,20,21,22);1H.
What are the key properties of 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide?
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide has a molecular weight of 491.81 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide is sourced from PubChem (CID 119121156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).