4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide

C24H40IN3O3 — CID 109467581

IUPAC4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCOCc1ccccc1OC)N1CCC(OCC2CCCC2)CC1.I
InChIInChI=1S/C24H39N3O3.HI/c1-3-25-24(26-14-17-29-19-21-10-6-7-11-23(21)28-2)27-15-12-22(13-16-27)30-18-20-8-4-5-9-20;/h6-7,10-11,20,22H,3-5,8-9,12-19H2,1-2H3,(H,25,26);1H
InChIKeyXDUSUTQTGCRFPC-UHFFFAOYSA-N
MW545.51 g/mol
LogP4.47
Rot. Bonds10

About 4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide

4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 109467581) has the molecular formula C24H40IN3O3 and a molecular weight of 545.51 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID109467581
Molecular FormulaC24H40IN3O3
Molecular Weight545.51 g/mol
Exact Mass545.21
IUPAC Name4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCOCc1ccccc1OC)N1CCC(OCC2CCCC2)CC1.I
InChIInChI=1S/C24H39N3O3.HI/c1-3-25-24(26-14-17-29-19-21-10-6-7-11-23(21)28-2)27-15-12-22(13-16-27)30-18-20-8-4-5-9-20;/h6-7,10-11,20,22H,3-5,8-9,12-19H2,1-2H3,(H,25,26);1H
InChIKeyXDUSUTQTGCRFPC-UHFFFAOYSA-N
XLogP4.47
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 109406145
3-(diethylamino)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 109404940
N-ethyl-3-(methoxymethyl)-N'-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboximidamide
CID 111737547
1-cyclopentyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400891
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
CID 109405050
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide
CID 109449094
N'-[(2-cyclopentyloxyphenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960196
1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400878
4-acetyl-N-ethyl-N'-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 110963439
N-ethyl-N'-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447605
N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109450298
4-benzyl-N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111152790

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide (CID 109467581) is 4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCOCc1ccccc1OC)N1CCC(OCC2CCCC2)CC1.I.
What is the InChIKey of 4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is XDUSUTQTGCRFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3.HI/c1-3-25-24(26-14-17-29-19-21-10-6-7-11-23(21)28-2)27-15-12-22(13-16-27)30-18-20-8-4-5-9-20;/h6-7,10-11,20,22H,3-5,8-9,12-19H2,1-2H3,(H,25,26);1H.
What are the key properties of 4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide?
4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 545.51 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109467581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).