1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine

C24H33FN4O — CID 110054414

IUPAC1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine
SMILESFc1ccc(CN2CCC(N/C(=N/CCc3ccco3)NC3CCCC3)CC2)cc1
InChIInChI=1S/C24H33FN4O/c25-20-9-7-19(8-10-20)18-29-15-12-22(13-16-29)28-24(27-21-4-1-2-5-21)26-14-11-23-6-3-17-30-23/h3,6-10,17,21-22H,1-2,4-5,11-16,18H2,(H2,26,27,28)
InChIKeyBYEGXTIPXZHMPM-UHFFFAOYSA-N
MW412.55 g/mol
LogP4.10
Rot. Bonds7

About 1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine

1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 110054414) has the molecular formula C24H33FN4O and a molecular weight of 412.55 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine
PubChem CID110054414
Molecular FormulaC24H33FN4O
Molecular Weight412.55 g/mol
Exact Mass412.26
IUPAC Name1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine
SMILESFc1ccc(CN2CCC(N/C(=N/CCc3ccco3)NC3CCCC3)CC2)cc1
InChIInChI=1S/C24H33FN4O/c25-20-9-7-19(8-10-20)18-29-15-12-22(13-16-29)28-24(27-21-4-1-2-5-21)26-14-11-23-6-3-17-30-23/h3,6-10,17,21-22H,1-2,4-5,11-16,18H2,(H2,26,27,28)
InChIKeyBYEGXTIPXZHMPM-UHFFFAOYSA-N
XLogP4.10
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 54.10
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-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
CID 136701277
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110054385
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111356294
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054124
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979545
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111841705
1-(1-benzylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236250
1-butan-2-yl-3-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054856
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054165
2-benzyl-1-(1-benzylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110954221

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine (CID 110054414) is 1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine is Fc1ccc(CN2CCC(N/C(=N/CCc3ccco3)NC3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is BYEGXTIPXZHMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O/c25-20-9-7-19(8-10-20)18-29-15-12-22(13-16-29)28-24(27-21-4-1-2-5-21)26-14-11-23-6-3-17-30-23/h3,6-10,17,21-22H,1-2,4-5,11-16,18H2,(H2,26,27,28).
What are the key properties of 1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine?
1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 412.55 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 110054414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).