N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide

C18H34IN5 — CID 109490291

IUPACN',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCCc2cnn(C)c2)C1.I
InChIInChI=1S/C18H33N5.HI/c1-5-9-18(2)10-7-12-23(15-18)17(19-3)20-11-6-8-16-13-21-22(4)14-16;/h13-14H,5-12,15H2,1-4H3,(H,19,20);1H
InChIKeyOOAAHSXMEVPUCU-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.45
Rot. Bonds6

About N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide

N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490291) has the molecular formula C18H34IN5 and a molecular weight of 447.41 g/mol. Its IUPAC name is N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490291
Molecular FormulaC18H34IN5
Molecular Weight447.41 g/mol
Exact Mass447.19
IUPAC NameN',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCCc2cnn(C)c2)C1.I
InChIInChI=1S/C18H33N5.HI/c1-5-9-18(2)10-7-12-23(15-18)17(19-3)20-11-6-8-16-13-21-22(4)14-16;/h13-14H,5-12,15H2,1-4H3,(H,19,20);1H
InChIKeyOOAAHSXMEVPUCU-UHFFFAOYSA-N
XLogP3.45
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490282
N',3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490397
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490486
N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490544
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490573
2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
CID 109490153
N-[2-(benzenesulfonyl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490656
1-[4-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109490841
N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490779
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490616
N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 109490604

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490291) is N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/C)NCCCc2cnn(C)c2)C1.I.
What is the InChIKey of N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is OOAAHSXMEVPUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5.HI/c1-5-9-18(2)10-7-12-23(15-18)17(19-3)20-11-6-8-16-13-21-22(4)14-16;/h13-14H,5-12,15H2,1-4H3,(H,19,20);1H.
What are the key properties of N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 447.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).