1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine

C25H36N4O — CID 110054522

IUPAC1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine
SMILESCC(N/C(=N\CCc1ccco1)NC1CCN(C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C25H36N4O/c1-20(21-8-3-2-4-9-21)27-25(26-16-13-24-12-7-19-30-24)28-22-14-17-29(18-15-22)23-10-5-6-11-23/h2-4,7-9,12,19-20,22-23H,5-6,10-11,13-18H2,1H3,(H2,26,27,28)
InChIKeyNMPULXWUYPHRSH-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.53
Rot. Bonds7

About 1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine

1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine (PubChem CID 110054522) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine
PubChem CID110054522
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine
SMILESCC(N/C(=N\CCc1ccco1)NC1CCN(C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C25H36N4O/c1-20(21-8-3-2-4-9-21)27-25(26-16-13-24-12-7-19-30-24)28-22-14-17-29(18-15-22)23-10-5-6-11-23/h2-4,7-9,12,19-20,22-23H,5-6,10-11,13-18H2,1H3,(H2,26,27,28)
InChIKeyNMPULXWUYPHRSH-UHFFFAOYSA-N
XLogP4.53
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.53
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-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054124
2-[4-[[N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide;hydroiodide
CID 110054667
2-[2-(furan-2-yl)ethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110055095
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
2-[2-(furan-2-yl)ethyl]-1-(1-phenylethyl)-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059913
2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclopropyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 111753947
2-[2-(furan-2-yl)ethyl]-1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-phenylethyl)guanidine
CID 110057288
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 110056458
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111841705
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110056465
N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide
CID 111493000
2-butyl-1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110056439

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine (CID 110054522) is 1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine is CC(N/C(=N\CCc1ccco1)NC1CCN(C2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine?
The InChIKey is NMPULXWUYPHRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-20(21-8-3-2-4-9-21)27-25(26-16-13-24-12-7-19-30-24)28-22-14-17-29(18-15-22)23-10-5-6-11-23/h2-4,7-9,12,19-20,22-23H,5-6,10-11,13-18H2,1H3,(H2,26,27,28).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine?
1-(1-cyclopentylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine has a molecular weight of 408.59 g/mol, XLogP of 4.53, 7 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)-2-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110054522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).