1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine

C23H36N4O — CID 119161874

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine
SMILESC/N=C(/NC1CCN(C2CCCC2)CC1)NC1CC1(C)c1ccccc1OC
InChIInChI=1S/C23H36N4O/c1-23(19-10-6-7-11-20(19)28-3)16-21(23)26-22(24-2)25-17-12-14-27(15-13-17)18-8-4-5-9-18/h6-7,10-11,17-18,21H,4-5,8-9,12-16H2,1-3H3,(H2,24,25,26)
InChIKeyMCHPIFQKHJJYBQ-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.30
Rot. Bonds5

About 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine

1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine (PubChem CID 119161874) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine
PubChem CID119161874
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine
SMILESC/N=C(/NC1CCN(C2CCCC2)CC1)NC1CC1(C)c1ccccc1OC
InChIInChI=1S/C23H36N4O/c1-23(19-10-6-7-11-20(19)28-3)16-21(23)26-22(24-2)25-17-12-14-27(15-13-17)18-8-4-5-9-18/h6-7,10-11,17-18,21H,4-5,8-9,12-16H2,1-3H3,(H2,24,25,26)
InChIKeyMCHPIFQKHJJYBQ-UHFFFAOYSA-N
XLogP3.30
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.30
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'}

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Related Compounds

1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide
CID 119161827
1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119161993
1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 119162240
1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109406243
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
CID 109405050
1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317686
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-(2-phenylsulfanylpropyl)guanidine
CID 111991467
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111978527
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
CID 111919835
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111997540
1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111918550

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine (CID 119161874) is 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine is C/N=C(/NC1CCN(C2CCCC2)CC1)NC1CC1(C)c1ccccc1OC.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine?
The InChIKey is MCHPIFQKHJJYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-23(19-10-6-7-11-20(19)28-3)16-21(23)26-22(24-2)25-17-12-14-27(15-13-17)18-8-4-5-9-18/h6-7,10-11,17-18,21H,4-5,8-9,12-16H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine?
1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine has a molecular weight of 384.57 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine is sourced from PubChem (CID 119161874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).