4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide

C18H34IN3O2 — CID 119156715

IUPAC4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(O)CCC1)N1CCC(OCC2CCCC2)CC1.I
InChIInChI=1S/C18H33N3O2.HI/c1-19-17(20-14-18(22)9-4-10-18)21-11-7-16(8-12-21)23-13-15-5-2-3-6-15;/h15-16,22H,2-14H2,1H3,(H,19,20);1H
InChIKeyYLMAXWYNRJRBOJ-UHFFFAOYSA-N
MW451.39 g/mol
LogP2.77
Rot. Bonds5

About 4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide

4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 119156715) has the molecular formula C18H34IN3O2 and a molecular weight of 451.39 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID119156715
Molecular FormulaC18H34IN3O2
Molecular Weight451.39 g/mol
Exact Mass451.17
IUPAC Name4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(O)CCC1)N1CCC(OCC2CCCC2)CC1.I
InChIInChI=1S/C18H33N3O2.HI/c1-19-17(20-14-18(22)9-4-10-18)21-11-7-16(8-12-21)23-13-15-5-2-3-6-15;/h15-16,22H,2-14H2,1H3,(H,19,20);1H
InChIKeyYLMAXWYNRJRBOJ-UHFFFAOYSA-N
XLogP2.77
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 52.77
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

4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 119155727
N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119156330
N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119156188
N-[(1-cyclopropylcyclopropyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447170
4-(cyclopentylmethoxy)-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119163102
4-(2-bicyclo[2.2.1]heptanyl)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119156502
N'-methyl-4-(oxan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109447822
4-ethoxy-N'-methyl-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111959772
N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119155692
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447187
N-[3-(cyclopropylmethoxy)propyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447330
N'-methyl-4-(oxan-2-ylmethoxy)-N-prop-2-ynylpiperidine-1-carboximidamide
CID 109447385

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 119156715) is 4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCC1(O)CCC1)N1CCC(OCC2CCCC2)CC1.I.
What is the InChIKey of 4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is YLMAXWYNRJRBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2.HI/c1-19-17(20-14-18(22)9-4-10-18)21-11-7-16(8-12-21)23-13-15-5-2-3-6-15;/h15-16,22H,2-14H2,1H3,(H,19,20);1H.
What are the key properties of 4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 451.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119156715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).