2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine

C26H38N4O2 — CID 110055516

IUPAC2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
SMILESCOCCCN1CCC(N/C(=N\CCc2ccco2)NC2CCc3ccccc3C2)CC1
InChIInChI=1S/C26H38N4O2/c1-31-18-5-15-30-16-12-23(13-17-30)28-26(27-14-11-25-8-4-19-32-25)29-24-10-9-21-6-2-3-7-22(21)20-24/h2-4,6-8,19,23-24H,5,9-18,20H2,1H3,(H2,27,28,29)
InChIKeyYYARTHPHNFZJDD-UHFFFAOYSA-N
MW438.62 g/mol
LogP3.42
Rot. Bonds9

About 2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine

2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine (PubChem CID 110055516) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
PubChem CID110055516
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
SMILESCOCCCN1CCC(N/C(=N\CCc2ccco2)NC2CCc3ccccc3C2)CC1
InChIInChI=1S/C26H38N4O2/c1-31-18-5-15-30-16-12-23(13-17-30)28-26(27-14-11-25-8-4-19-32-25)29-24-10-9-21-6-2-3-7-22(21)20-24/h2-4,6-8,19,23-24H,5,9-18,20H2,1H3,(H2,27,28,29)
InChIKeyYYARTHPHNFZJDD-UHFFFAOYSA-N
XLogP3.42
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 111907082
4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide
CID 110055034
2-[2-(furan-2-yl)ethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110055095
1-[2-(furan-2-yl)ethyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]-2-(thiophen-2-ylmethyl)guanidine
CID 110055510
1-(1-butylpiperidin-4-yl)-3-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110055312
1-[2-(furan-2-yl)ethyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 110055087
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine;hydroiodide
CID 110055501
2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 111357385
2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 110058320
1-(1-benzylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236250
1-(furan-2-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119132815
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine (CID 110055516) is 2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine.
What is the SMILES notation for 2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The canonical SMILES for 2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine is COCCCN1CCC(N/C(=N\CCc2ccco2)NC2CCc3ccccc3C2)CC1.
What is the InChIKey of 2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The InChIKey is YYARTHPHNFZJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-31-18-5-15-30-16-12-23(13-17-30)28-26(27-14-11-25-8-4-19-32-25)29-24-10-9-21-6-2-3-7-22(21)20-24/h2-4,6-8,19,23-24H,5,9-18,20H2,1H3,(H2,27,28,29).
What are the key properties of 2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine has a molecular weight of 438.62 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine is sourced from PubChem (CID 110055516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).