N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide

C16H31IN4O — CID 119156188

IUPACN-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(O)CCC1)N1CCC(N2CCCCC2)C1.I
InChIInChI=1S/C16H30N4O.HI/c1-17-15(18-13-16(21)7-5-8-16)20-11-6-14(12-20)19-9-3-2-4-10-19;/h14,21H,2-13H2,1H3,(H,17,18);1H
InChIKeyAVHFRXISHKMCSG-UHFFFAOYSA-N
MW422.36 g/mol
LogP1.65
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide

N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119156188) has the molecular formula C16H31IN4O and a molecular weight of 422.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119156188
Molecular FormulaC16H31IN4O
Molecular Weight422.36 g/mol
Exact Mass422.15
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(O)CCC1)N1CCC(N2CCCCC2)C1.I
InChIInChI=1S/C16H30N4O.HI/c1-17-15(18-13-16(21)7-5-8-16)20-11-6-14(12-20)19-9-3-2-4-10-19;/h14,21H,2-13H2,1H3,(H,17,18);1H
InChIKeyAVHFRXISHKMCSG-UHFFFAOYSA-N
XLogP1.65
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 51.65
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

N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119156330
N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143161
N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143060
N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143190
N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143243
N'-methyl-3-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111994544
4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119156715
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111993754
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143013
4-(2-bicyclo[2.2.1]heptanyl)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119156502
N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143111
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143025

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 119156188) is N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCC1(O)CCC1)N1CCC(N2CCCCC2)C1.I.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is AVHFRXISHKMCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O.HI/c1-17-15(18-13-16(21)7-5-8-16)20-11-6-14(12-20)19-9-3-2-4-10-19;/h14,21H,2-13H2,1H3,(H,17,18);1H.
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 422.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119156188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).