1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine

C23H31FN6 — CID 110990749

IUPAC1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)NC1CCCC1
InChIInChI=1S/C23H31FN6/c1-25-23(28-20-4-2-3-5-20)27-17-18-10-11-26-22(16-18)30-14-12-29(13-15-30)21-8-6-19(24)7-9-21/h6-11,16,20H,2-5,12-15,17H2,1H3,(H2,25,27,28)
InChIKeyYNLXSUCSOUBULJ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.15
Rot. Bonds5

About 1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine

1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine (PubChem CID 110990749) has the molecular formula C23H31FN6 and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine
PubChem CID110990749
Molecular FormulaC23H31FN6
Molecular Weight410.54 g/mol
Exact Mass410.26
IUPAC Name1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)NC1CCCC1
InChIInChI=1S/C23H31FN6/c1-25-23(28-20-4-2-3-5-20)27-17-18-10-11-26-22(16-18)30-14-12-29(13-15-30)21-8-6-19(24)7-9-21/h6-11,16,20H,2-5,12-15,17H2,1H3,(H2,25,27,28)
InChIKeyYNLXSUCSOUBULJ-UHFFFAOYSA-N
XLogP3.15
TPSA55.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961046
1-cyclohexyl-2-methyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 110959200
1-butan-2-yl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 110944191
1-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 111129280
1-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111953504
1-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611596
1-(4-ethoxybutyl)-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine
CID 111943949
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-cyclopentylpiperidin-4-yl)-2-methylguanidine;hydroiodide
CID 111992064
2-methyl-1-[1-(4-methylphenyl)pyrrolidin-3-yl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111924358
1-cyclopentyl-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110989663
1-cyclopentyl-2-methyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111964017
2-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111016766

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine (CID 110990749) is 1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine is C/N=C(\NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine?
The InChIKey is YNLXSUCSOUBULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN6/c1-25-23(28-20-4-2-3-5-20)27-17-18-10-11-26-22(16-18)30-14-12-29(13-15-30)21-8-6-19(24)7-9-21/h6-11,16,20H,2-5,12-15,17H2,1H3,(H2,25,27,28).
What are the key properties of 1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine?
1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine has a molecular weight of 410.54 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine is sourced from PubChem (CID 110990749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).