N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide

C22H35IN4O2 — CID 109425867

IUPACN,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
SMILESC/N=C(\NCC1(C(=O)N(C)C)CCCC1)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C22H34N4O2.HI/c1-23-21(24-17-22(13-7-8-14-22)20(27)25(2)3)26-15-11-19(12-16-26)28-18-9-5-4-6-10-18;/h4-6,9-10,19H,7-8,11-17H2,1-3H3,(H,23,24);1H
InChIKeyFFLZHTWTMPVGNQ-UHFFFAOYSA-N
MW514.45 g/mol
LogP3.37
Rot. Bonds5

About N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide

N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide (PubChem CID 109425867) has the molecular formula C22H35IN4O2 and a molecular weight of 514.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
PubChem CID109425867
Molecular FormulaC22H35IN4O2
Molecular Weight514.45 g/mol
Exact Mass514.18
IUPAC NameN,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
SMILESC/N=C(\NCC1(C(=O)N(C)C)CCCC1)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C22H34N4O2.HI/c1-23-21(24-17-22(13-7-8-14-22)20(27)25(2)3)26-15-11-19(12-16-26)28-18-9-5-4-6-10-18;/h4-6,9-10,19H,7-8,11-17H2,1-3H3,(H,23,24);1H
InChIKeyFFLZHTWTMPVGNQ-UHFFFAOYSA-N
XLogP3.37
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
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

N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425823
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109427728
N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426691
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427760
N-(2-methoxy-2-methylpropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425451
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425927
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425491
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427761
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427388
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427759
N-(3-fluoropropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425403

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The IUPAC name of N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide (CID 109425867) is N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide is C/N=C(\NCC1(C(=O)N(C)C)CCCC1)N1CCC(Oc2ccccc2)CC1.I.
What is the InChIKey of N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The InChIKey is FFLZHTWTMPVGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2.HI/c1-23-21(24-17-22(13-7-8-14-22)20(27)25(2)3)26-15-11-19(12-16-26)28-18-9-5-4-6-10-18;/h4-6,9-10,19H,7-8,11-17H2,1-3H3,(H,23,24);1H.
What are the key properties of N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide has a molecular weight of 514.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide is sourced from PubChem (CID 109425867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).