N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide

C22H34ClIN4O3 — CID 111516542

IUPACN'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)Oc1ccc(Cl)cc1)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C22H33ClN4O3.HI/c1-3-24-22(25-16-17(2)30-20-6-4-19(23)5-7-20)27-10-8-18(9-11-27)21(28)26-12-14-29-15-13-26;/h4-7,17-18H,3,8-16H2,1-2H3,(H,24,25);1H
InChIKeyZLVKWKTZZHWKEQ-UHFFFAOYSA-N
MW564.90 g/mol
LogP3.26
Rot. Bonds6

About N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide

N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111516542) has the molecular formula C22H34ClIN4O3 and a molecular weight of 564.90 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111516542
Molecular FormulaC22H34ClIN4O3
Molecular Weight564.90 g/mol
Exact Mass564.14
IUPAC NameN'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)Oc1ccc(Cl)cc1)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C22H33ClN4O3.HI/c1-3-24-22(25-16-17(2)30-20-6-4-19(23)5-7-20)27-10-8-18(9-11-27)21(28)26-12-14-29-15-13-26;/h4-7,17-18H,3,8-16H2,1-2H3,(H,24,25);1H
InChIKeyZLVKWKTZZHWKEQ-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.90
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111503341
N-ethyl-N'-(3-hydroxy-2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346416
N-[2-(3-chlorophenoxy)propyl]-N'-methyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111516528
N'-[(4-cyanophenyl)methyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346494
2-[2-(4-chlorophenoxy)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111511915
N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide
CID 111346485
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 109392432
4-acetyl-N'-[2-(3-chlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide
CID 111493498
4-acetyl-N'-[2-(2-chlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 111493493
N-[2-(2-methoxyphenoxy)propyl]-N'-methyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111503339
N-ethyl-4-(morpholine-4-carbonyl)-N'-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111346482
methyl 1-[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111254653

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide (CID 111516542) is N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)Oc1ccc(Cl)cc1)N1CCC(C(=O)N2CCOCC2)CC1.I.
What is the InChIKey of N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is ZLVKWKTZZHWKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN4O3.HI/c1-3-24-22(25-16-17(2)30-20-6-4-19(23)5-7-20)27-10-8-18(9-11-27)21(28)26-12-14-29-15-13-26;/h4-7,17-18H,3,8-16H2,1-2H3,(H,24,25);1H.
What are the key properties of N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide?
N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 564.90 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111516542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).